4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one

C190H268N54O5S3 — CID 157241279

IUPAC4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one
SMILESCC(C)(C)N1CCOCC1.CC(C)c1cnc(-n2cccc2)cn1.CC(C)c1cnc(-n2ccccc2=O)cn1.CC(C)c1cnc(-n2cccn2)cn1.CC(C)c1cnc(-n2ccnc2)cn1.CC(C)c1cnc(N2CCCCC2)cn1.CC(C)c1cnc(N2CCCCC2C)cn1.CC(C)c1cnc(N2CCOCC2)cn1.CC(C)c1cncc(C#N)n1.CC(C)c1csc(-n2ccccc2=O)n1.CC1CCN(c2cnc(C(C)C)cn2)CC1.CCN(C)c1nc(C(C)C)cs1.CCN(CC)c1nc(C(C)C)cs1.COc1cncc(C(C)C)n1.Cc1ccn(-c2cnc(C(C)C)cn2)n1.Cc1cn(-c2cnc(C(C)C)cn2)cn1.Cc1cnn(-c2cnc(C(C)C)cn2)c1.Cc1nccn1-c1cnc(C(C)C)cn1
InChIInChI=1S/2C13H21N3.C12H13N3O.C12H19N3.4C11H14N4.C11H17N3O.C11H13N3.C11H12N2OS.2C10H12N4.C10H18N2S.C9H16N2S.C8H9N3.C8H12N2O.C8H17NO/c1-10(2)12-8-15-13(9-14-12)16-6-4-11(3)5-7-16;1-10(2)12-8-15-13(9-14-12)16-7-5-4-6-11(16)3;1-9(2)10-7-14-11(8-13-10)15-6-4-3-5-12(15)16;1-10(2)11-8-14-12(9-13-11)15-6-4-3-5-7-15;1-8(2)10-4-13-11(5-12-10)15-6-9(3)14-7-15;1-8(2)10-5-13-11(6-12-10)15-7-9(3)4-14-15;1-8(2)10-6-14-11(7-13-10)15-5-4-12-9(15)3;1-8(2)10-6-13-11(7-12-10)15-5-4-9(3)14-15;1-9(2)10-7-13-11(8-12-10)14-3-5-15-6-4-14;1-9(2)10-7-13-11(8-12-10)14-5-3-4-6-14;1-8(2)9-7-15-11(12-9)13-6-4-3-5-10(13)14;1-8(2)9-5-13-10(6-12-9)14-4-3-11-7-14;1-8(2)9-6-12-10(7-11-9)14-5-3-4-13-14;1-5-12(6-2)10-11-9(7-13-10)8(3)4;1-5-11(4)9-10-8(6-12-9)7(2)3;1-6(2)8-5-10-4-7(3-9)11-8;1-6(2)7-4-9-5-8(10-7)11-3;1-8(2,3)9-4-6-10-7-5-9/h2*8-11H,4-7H2,1-3H3;3-9H,1-2H3;8-10H,3-7H2,1-2H3;4*4-8H,1-3H3;7-9H,3-6H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;4-6H,1-2H3;4-6H,1-3H3;4-7H2,1-3H3
InChIKeyAVFZSELKNOSPAE-UHFFFAOYSA-N
MW3484.81 g/mol
LogP38.38
Rot. Bonds36

About 4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one

4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one (PubChem CID 157241279) has the molecular formula C190H268N54O5S3 and a molecular weight of 3484.81 g/mol. Its IUPAC name is 4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one
PubChem CID157241279
Molecular FormulaC190H268N54O5S3
Molecular Weight3484.81 g/mol
Exact Mass3482.15
IUPAC Name4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one
SMILESCC(C)(C)N1CCOCC1.CC(C)c1cnc(-n2cccc2)cn1.CC(C)c1cnc(-n2ccccc2=O)cn1.CC(C)c1cnc(-n2cccn2)cn1.CC(C)c1cnc(-n2ccnc2)cn1.CC(C)c1cnc(N2CCCCC2)cn1.CC(C)c1cnc(N2CCCCC2C)cn1.CC(C)c1cnc(N2CCOCC2)cn1.CC(C)c1cncc(C#N)n1.CC(C)c1csc(-n2ccccc2=O)n1.CC1CCN(c2cnc(C(C)C)cn2)CC1.CCN(C)c1nc(C(C)C)cs1.CCN(CC)c1nc(C(C)C)cs1.COc1cncc(C(C)C)n1.Cc1ccn(-c2cnc(C(C)C)cn2)n1.Cc1cn(-c2cnc(C(C)C)cn2)cn1.Cc1cnn(-c2cnc(C(C)C)cn2)c1.Cc1nccn1-c1cnc(C(C)C)cn1
InChIInChI=1S/2C13H21N3.C12H13N3O.C12H19N3.4C11H14N4.C11H17N3O.C11H13N3.C11H12N2OS.2C10H12N4.C10H18N2S.C9H16N2S.C8H9N3.C8H12N2O.C8H17NO/c1-10(2)12-8-15-13(9-14-12)16-6-4-11(3)5-7-16;1-10(2)12-8-15-13(9-14-12)16-7-5-4-6-11(16)3;1-9(2)10-7-14-11(8-13-10)15-6-4-3-5-12(15)16;1-10(2)11-8-14-12(9-13-11)15-6-4-3-5-7-15;1-8(2)10-4-13-11(5-12-10)15-6-9(3)14-7-15;1-8(2)10-5-13-11(6-12-10)15-7-9(3)4-14-15;1-8(2)10-6-14-11(7-13-10)15-5-4-12-9(15)3;1-8(2)10-6-13-11(7-12-10)15-5-4-9(3)14-15;1-9(2)10-7-13-11(8-12-10)14-3-5-15-6-4-14;1-9(2)10-7-13-11(8-12-10)14-5-3-4-6-14;1-8(2)9-7-15-11(12-9)13-6-4-3-5-10(13)14;1-8(2)9-5-13-10(6-12-9)14-4-3-11-7-14;1-8(2)9-6-12-10(7-11-9)14-5-3-4-13-14;1-5-12(6-2)10-11-9(7-13-10)8(3)4;1-5-11(4)9-10-8(6-12-9)7(2)3;1-6(2)8-5-10-4-7(3-9)11-8;1-6(2)7-4-9-5-8(10-7)11-3;1-8(2,3)9-4-6-10-7-5-9/h2*8-11H,4-7H2,1-3H3;3-9H,1-2H3;8-10H,3-7H2,1-2H3;4*4-8H,1-3H3;7-9H,3-6H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;4-6H,1-2H3;4-6H,1-3H3;4-7H2,1-3H3
InChIKeyAVFZSELKNOSPAE-UHFFFAOYSA-N
XLogP38.38
TPSA629.60 Ų
H-Bond Donors
H-Bond Acceptors62
Rotatable Bonds36
Heavy Atoms252
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003484.81
LogP ≤ 538.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1062

Analyze 4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?
The IUPAC name of 4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one (CID 157241279) is 4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one.
What is the SMILES notation for 4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?
The canonical SMILES for 4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one is CC(C)(C)N1CCOCC1.CC(C)c1cnc(-n2cccc2)cn1.CC(C)c1cnc(-n2ccccc2=O)cn1.CC(C)c1cnc(-n2cccn2)cn1.CC(C)c1cnc(-n2ccnc2)cn1.CC(C)c1cnc(N2CCCCC2)cn1.CC(C)c1cnc(N2CCCCC2C)cn1.CC(C)c1cnc(N2CCOCC2)cn1.CC(C)c1cncc(C#N)n1.CC(C)c1csc(-n2ccccc2=O)n1.CC1CCN(c2cnc(C(C)C)cn2)CC1.CCN(C)c1nc(C(C)C)cs1.CCN(CC)c1nc(C(C)C)cs1.COc1cncc(C(C)C)n1.Cc1ccn(-c2cnc(C(C)C)cn2)n1.Cc1cn(-c2cnc(C(C)C)cn2)cn1.Cc1cnn(-c2cnc(C(C)C)cn2)c1.Cc1nccn1-c1cnc(C(C)C)cn1.
What is the InChIKey of 4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?
The InChIKey is AVFZSELKNOSPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H21N3.C12H13N3O.C12H19N3.4C11H14N4.C11H17N3O.C11H13N3.C11H12N2OS.2C10H12N4.C10H18N2S.C9H16N2S.C8H9N3.C8H12N2O.C8H17NO/c1-10(2)12-8-15-13(9-14-12)16-6-4-11(3)5-7-16;1-10(2)12-8-15-13(9-14-12)16-7-5-4-6-11(16)3;1-9(2)10-7-14-11(8-13-10)15-6-4-3-5-12(15)16;1-10(2)11-8-14-12(9-13-11)15-6-4-3-5-7-15;1-8(2)10-4-13-11(5-12-10)15-6-9(3)14-7-15;1-8(2)10-5-13-11(6-12-10)15-7-9(3)4-14-15;1-8(2)10-6-14-11(7-13-10)15-5-4-12-9(15)3;1-8(2)10-6-13-11(7-12-10)15-5-4-9(3)14-15;1-9(2)10-7-13-11(8-12-10)14-3-5-15-6-4-14;1-9(2)10-7-13-11(8-12-10)14-5-3-4-6-14;1-8(2)9-7-15-11(12-9)13-6-4-3-5-10(13)14;1-8(2)9-5-13-10(6-12-9)14-4-3-11-7-14;1-8(2)9-6-12-10(7-11-9)14-5-3-4-13-14;1-5-12(6-2)10-11-9(7-13-10)8(3)4;1-5-11(4)9-10-8(6-12-9)7(2)3;1-6(2)8-5-10-4-7(3-9)11-8;1-6(2)7-4-9-5-8(10-7)11-3;1-8(2,3)9-4-6-10-7-5-9/h2*8-11H,4-7H2,1-3H3;3-9H,1-2H3;8-10H,3-7H2,1-2H3;4*4-8H,1-3H3;7-9H,3-6H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3;2*3-8H,1-2H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;4-6H,1-2H3;4-6H,1-3H3;4-7H2,1-3H3.
What are the key properties of 4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?
4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one has a molecular weight of 3484.81 g/mol, XLogP of 38.38, 36 rotatable bonds, 0 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylmorpholine;N,N-diethyl-4-propan-2-yl-1,3-thiazol-2-amine;N-ethyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine;2-imidazol-1-yl-5-propan-2-ylpyrazine;2-methoxy-6-propan-2-ylpyrazine;2-(2-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(2-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpiperidin-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-piperidin-1-yl-5-propan-2-ylpyrazine;6-propan-2-ylpyrazine-2-carbonitrile;4-(5-propan-2-ylpyrazin-2-yl)morpholine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;2-propan-2-yl-5-pyrrol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one is sourced from PubChem (CID 157241279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).