6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one — IUPAC name, SMILES, InChIKey & properties

Name: 6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one

6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one (PubChem CID 158169930) has the molecular formula C111H147N33O3S4 and a molecular weight of 2119.89 g/mol. Its IUPAC name is 6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one.

Molecular Properties

Compound Name	6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one
PubChem CID	158169930
Molecular Formula	C111H147N33O3S4
Molecular Weight	2119.89 g/mol
Exact Mass	2118.12
IUPAC Name	6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one
SMILES	CC(C)(C)c1cncc(C#N)n1.CC(C)c1cnc(-n2ccccc2=O)cn1.CC(C)c1cnc(-n2cccn2)cn1.CC(C)c1csc(-n2ccccc2=O)n1.CC(C)c1csc(-n2ccnc2)n1.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
InChI	InChI=1S/C12H13N3O.3C11H14N4.C11H12N2OS.C10H12N4.C10H18N2S.C9H11N3S.C9H11N3.C9H16N2S.C8H12N2O/c1-9(2)10-7-14-11(8-13-10)15-6-4-3-5-12(15)16;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)10-6-13-11(7-12-10)15-5-4-9(3)14-15;1-8(2)9-7-15-11(12-9)13-6-4-3-5-10(13)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;1-7(2)8-5-13-9(11-8)12-4-3-10-6-12;1-9(2,3)8-6-11-5-7(4-10)12-8;1-5-11(4)9-10-8(6-12-9)7(2)3;1-6(2)7-4-9-5-8(10-7)11-3/h3-9H,1-2H3;3*4-8H,1-3H3;3-8H,1-2H3;3-8H,1-2H3;7-8H,5-6H2,1-4H3;3-7H,1-2H3;5-6H,1-3H3;6-7H,5H2,1-4H3;4-6H,1-3H3
InChIKey	FXICWDZTLYLXCA-UHFFFAOYSA-N
XLogP	23.78
TPSA	404.62 Å²
H-Bond Donors
H-Bond Acceptors	40
Rotatable Bonds	23
Heavy Atoms	151
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2119.89
LogP ≤ 5	23.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Analyze 6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-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 6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?

The IUPAC name of 6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one (CID 158169930) is 6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one.

What is the SMILES notation for 6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?

The canonical SMILES for 6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one is CC(C)(C)c1cncc(C#N)n1.CC(C)c1cnc(-n2ccccc2=O)cn1.CC(C)c1cnc(-n2cccn2)cn1.CC(C)c1csc(-n2ccccc2=O)n1.CC(C)c1csc(-n2ccnc2)n1.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.

What is the InChIKey of 6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?

The InChIKey is FXICWDZTLYLXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.3C11H14N4.C11H12N2OS.C10H12N4.C10H18N2S.C9H11N3S.C9H11N3.C9H16N2S.C8H12N2O/c1-9(2)10-7-14-11(8-13-10)15-6-4-3-5-12(15)16;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)10-6-13-11(7-12-10)15-5-4-9(3)14-15;1-8(2)9-7-15-11(12-9)13-6-4-3-5-10(13)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;1-7(2)8-5-13-9(11-8)12-4-3-10-6-12;1-9(2,3)8-6-11-5-7(4-10)12-8;1-5-11(4)9-10-8(6-12-9)7(2)3;1-6(2)7-4-9-5-8(10-7)11-3/h3-9H,1-2H3;3*4-8H,1-3H3;3-8H,1-2H3;3-8H,1-2H3;7-8H,5-6H2,1-4H3;3-7H,1-2H3;5-6H,1-3H3;6-7H,5H2,1-4H3;4-6H,1-3H3.

What are the key properties of 6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one?

Where does this data come from?

All data for 6-tert-butylpyrazine-2-carbonitrile;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-4-propan-2-yl-1,3-thiazole;2-methoxy-6-propan-2-ylpyrazine;2-(4-methylimidazol-1-yl)-5-propan-2-ylpyrazine;2-(3-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;2-(4-methylpyrazol-1-yl)-5-propan-2-ylpyrazine;1-(5-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-5-pyrazol-1-ylpyrazine;1-(4-propan-2-yl-1,3-thiazol-2-yl)pyridin-2-one is sourced from PubChem (CID 158169930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).