4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine

C14H11ClN4S — CID 2728477

IUPAC4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(Cl)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C14H11ClN4S/c1-8-12(11-6-7-17-14(16)19-11)20-13(18-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H2,16,17,19)
InChIKeyAEVGCUSOXYKFKL-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.81
Rot. Bonds2

About 4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine

4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 2728477) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID2728477
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC Name4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(Cl)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C14H11ClN4S/c1-8-12(11-6-7-17-14(16)19-11)20-13(18-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H2,16,17,19)
InChIKeyAEVGCUSOXYKFKL-UHFFFAOYSA-N
XLogP3.81
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-Dimethyl-Thiazol-5-Yl)-Pyrimidin-2-Ylamine
CID 447956
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
N-(4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL)-N',N'-dimethyl-benzene-1,4-diamine
CID 447962
4-(4-Chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 2806768
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
N-(5-chloropyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329395
2-Pyrimidinamine, 4-(2,4-dimethyl-5-thiazolyl)-N-phenyl-
CID 6539280
N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 6539282
N-(4-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 6539283
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-fluorophenyl)pyrimidin-2-amine
CID 6539285
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 6539286

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 2728477) is 4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1nc(-c2ccc(Cl)cc2)sc1-c1ccnc(N)n1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is AEVGCUSOXYKFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4S/c1-8-12(11-6-7-17-14(16)19-11)20-13(18-8)9-2-4-10(15)5-3-9/h2-7H,1H3,(H2,16,17,19).
What are the key properties of 4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 302.79 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 2728477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).