4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine

C16H15ClN4S — CID 58974828

IUPAC4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3ncc(Cl)s3)n2)cc(C)c1C
InChIInChI=1S/C16H15ClN4S/c1-9-6-12(7-10(2)11(9)3)20-16-18-5-4-13(21-16)15-19-8-14(17)22-15/h4-8H,1-3H3,(H,18,20,21)
InChIKeyVJFJTJLWKAEKQI-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.92
Rot. Bonds3

About 4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine

4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine (PubChem CID 58974828) has the molecular formula C16H15ClN4S and a molecular weight of 330.84 g/mol. Its IUPAC name is 4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine
PubChem CID58974828
Molecular FormulaC16H15ClN4S
Molecular Weight330.84 g/mol
Exact Mass330.07
IUPAC Name4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3ncc(Cl)s3)n2)cc(C)c1C
InChIInChI=1S/C16H15ClN4S/c1-9-6-12(7-10(2)11(9)3)20-16-18-5-4-13(21-16)15-19-8-14(17)22-15/h4-8H,1-3H3,(H,18,20,21)
InChIKeyVJFJTJLWKAEKQI-UHFFFAOYSA-N
XLogP4.92
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 11231940
N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 70946567
N-(3,5-dimethylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 58974728
1-[3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]ethanone
CID 58974639
4-(5-methyl-1,3-thiazol-2-yl)-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 58974655
N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
CID 11280419
N-(3,5-dimethylphenyl)-4-[5-[(pyridin-3-ylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[(pyridin-4-ylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine
CID 157186090
N-(4-chloro-3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 11255564
4-[3-(4-chlorophenyl)pyrazol-1-yl]-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine
CID 59034551
2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58974646
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 11538234
4-[4-(aminomethyl)-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 11209142

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine (CID 58974828) is 4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine is Cc1cc(Nc2nccc(-c3ncc(Cl)s3)n2)cc(C)c1C.
What is the InChIKey of 4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine?
The InChIKey is VJFJTJLWKAEKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4S/c1-9-6-12(7-10(2)11(9)3)20-16-18-5-4-13(21-16)15-19-8-14(17)22-15/h4-8H,1-3H3,(H,18,20,21).
What are the key properties of 4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine?
4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine has a molecular weight of 330.84 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1,3-thiazol-2-yl)-N-(3,4,5-trimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 58974828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).