3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate

C100H152BrClN18O5S5 — CID 158753702

IUPAC3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate
SMILESCC(=O)Nc1ncc(C(C)(C)C)s1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CC(C)(C)c1cnc(Cl)nc1.CC(C)(C)c1ncc(-c2cnco2)s1.CCN(CC)c1cncc(C(C)(C)C)c1.CCN(CC)c1ncc(C(C)(C)C)cc1Br.CCN(CC)c1ncc(C(C)(C)C)cn1.CCOC(=O)c1sc(C(C)(C)C)nc1C.Cc1nc(-c2cnc(C(C)(C)C)s2)cs1
InChIInChI=1S/C13H21BrN2.C13H20N2O.C13H22N2.C12H21N3.C11H14N2S2.C11H17NO2S.C10H12N2OS.C9H14N2OS.C8H11ClN2/c1-6-16(7-2)12-11(14)8-10(9-15-12)13(3,4)5;1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-6-15(7-2)12-8-11(9-14-10-12)13(3,4)5;1-6-15(7-2)11-13-8-10(9-14-11)12(3,4)5;1-7-13-8(6-14-7)9-5-12-10(15-9)11(2,3)4;1-6-14-9(13)8-7(2)12-10(15-8)11(3,4)5;1-10(2,3)9-12-5-8(14-9)7-4-11-6-13-7;1-6(12)11-8-10-5-7(13-8)9(2,3)4;1-8(2,3)6-4-10-7(9)11-5-6/h8-9H,6-7H2,1-5H3;4-5,10H,6-9H2,1-3H3;8-10H,6-7H2,1-5H3;8-9H,6-7H2,1-5H3;5-6H,1-4H3;6H2,1-5H3;4-6H,1-3H3;5H,1-4H3,(H,10,11,12);4-5H,1-3H3
InChIKeyINUIUILXAILILF-UHFFFAOYSA-N
MW1962.13 g/mol
LogP26.77
Rot. Bonds15

About 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate

3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 158753702) has the molecular formula C100H152BrClN18O5S5 and a molecular weight of 1962.13 g/mol. Its IUPAC name is 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID158753702
Molecular FormulaC100H152BrClN18O5S5
Molecular Weight1962.13 g/mol
Exact Mass1958.97
IUPAC Name3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate
SMILESCC(=O)Nc1ncc(C(C)(C)C)s1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CC(C)(C)c1cnc(Cl)nc1.CC(C)(C)c1ncc(-c2cnco2)s1.CCN(CC)c1cncc(C(C)(C)C)c1.CCN(CC)c1ncc(C(C)(C)C)cc1Br.CCN(CC)c1ncc(C(C)(C)C)cn1.CCOC(=O)c1sc(C(C)(C)C)nc1C.Cc1nc(-c2cnc(C(C)(C)C)s2)cs1
InChIInChI=1S/C13H21BrN2.C13H20N2O.C13H22N2.C12H21N3.C11H14N2S2.C11H17NO2S.C10H12N2OS.C9H14N2OS.C8H11ClN2/c1-6-16(7-2)12-11(14)8-10(9-15-12)13(3,4)5;1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-6-15(7-2)12-8-11(9-14-10-12)13(3,4)5;1-6-15(7-2)11-13-8-10(9-14-11)12(3,4)5;1-7-13-8(6-14-7)9-5-12-10(15-9)11(2,3)4;1-6-14-9(13)8-7(2)12-10(15-8)11(3,4)5;1-10(2,3)9-12-5-8(14-9)7-4-11-6-13-7;1-6(12)11-8-10-5-7(13-8)9(2,3)4;1-8(2,3)6-4-10-7(9)11-5-6/h8-9H,6-7H2,1-5H3;4-5,10H,6-9H2,1-3H3;8-10H,6-7H2,1-5H3;8-9H,6-7H2,1-5H3;5-6H,1-4H3;6H2,1-5H3;4-6H,1-3H3;5H,1-4H3,(H,10,11,12);4-5H,1-3H3
InChIKeyINUIUILXAILILF-UHFFFAOYSA-N
XLogP26.77
TPSA258.30 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001962.13
LogP ≤ 526.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Analyze 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;5-tert-butyl-2-phenoxypyridine;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;3-tert-butylthiolane;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate
CID 157068208

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate (CID 158753702) is 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate is CC(=O)Nc1ncc(C(C)(C)C)s1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CC(C)(C)c1cnc(Cl)nc1.CC(C)(C)c1ncc(-c2cnco2)s1.CCN(CC)c1cncc(C(C)(C)C)c1.CCN(CC)c1ncc(C(C)(C)C)cc1Br.CCN(CC)c1ncc(C(C)(C)C)cn1.CCOC(=O)c1sc(C(C)(C)C)nc1C.Cc1nc(-c2cnc(C(C)(C)C)s2)cs1.
What is the InChIKey of 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is INUIUILXAILILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2.C13H20N2O.C13H22N2.C12H21N3.C11H14N2S2.C11H17NO2S.C10H12N2OS.C9H14N2OS.C8H11ClN2/c1-6-16(7-2)12-11(14)8-10(9-15-12)13(3,4)5;1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-6-15(7-2)12-8-11(9-14-10-12)13(3,4)5;1-6-15(7-2)11-13-8-10(9-14-11)12(3,4)5;1-7-13-8(6-14-7)9-5-12-10(15-9)11(2,3)4;1-6-14-9(13)8-7(2)12-10(15-8)11(3,4)5;1-10(2,3)9-12-5-8(14-9)7-4-11-6-13-7;1-6(12)11-8-10-5-7(13-8)9(2,3)4;1-8(2,3)6-4-10-7(9)11-5-6/h8-9H,6-7H2,1-5H3;4-5,10H,6-9H2,1-3H3;8-10H,6-7H2,1-5H3;8-9H,6-7H2,1-5H3;5-6H,1-4H3;6H2,1-5H3;4-6H,1-3H3;5H,1-4H3,(H,10,11,12);4-5H,1-3H3.
What are the key properties of 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate?
3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 1962.13 g/mol, XLogP of 26.77, 15 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-tert-butyl-N,N-diethylpyridin-2-amine;5-tert-butyl-2-chloropyrimidine;5-tert-butyl-N,N-diethylpyridin-3-amine;5-tert-butyl-N,N-diethylpyrimidin-2-amine;2-tert-butyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole;4-(5-tert-butyl-2-pyridinyl)morpholine;N-(5-tert-butyl-1,3-thiazol-2-yl)acetamide;5-(2-tert-butyl-1,3-thiazol-5-yl)-1,3-oxazole;ethyl 2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 158753702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).