N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C17H15ClN6S — CID 108772307

IUPACN-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCCc1nc(Cl)cc(Nc2nc3scc(-c4ccc(C)cc4)n3n2)n1
InChIInChI=1S/C17H15ClN6S/c1-3-14-19-13(18)8-15(20-14)21-16-22-17-24(23-16)12(9-25-17)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,19,20,21,23)
InChIKeyAPGGWUQRGPKHGB-UHFFFAOYSA-N
MW370.87 g/mol
LogP4.52
Rot. Bonds4

About N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 108772307) has the molecular formula C17H15ClN6S and a molecular weight of 370.87 g/mol. Its IUPAC name is N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID108772307
Molecular FormulaC17H15ClN6S
Molecular Weight370.87 g/mol
Exact Mass370.08
IUPAC NameN-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCCc1nc(Cl)cc(Nc2nc3scc(-c4ccc(C)cc4)n3n2)n1
InChIInChI=1S/C17H15ClN6S/c1-3-14-19-13(18)8-15(20-14)21-16-22-17-24(23-16)12(9-25-17)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,19,20,21,23)
InChIKeyAPGGWUQRGPKHGB-UHFFFAOYSA-N
XLogP4.52
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772258
N-(6-chloro-2-ethylpyrimidin-4-yl)-5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772209
N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772231
6-(2,4-dimethylphenyl)-N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772329
6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772366
2,5-dichloro-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108727944
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 108780689
2,4-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780603
2,2-dimethyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728011
2-methoxy-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728076
4-methoxy-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 108780595
N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728483

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 108772307) is N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is CCc1nc(Cl)cc(Nc2nc3scc(-c4ccc(C)cc4)n3n2)n1.
What is the InChIKey of N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is APGGWUQRGPKHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6S/c1-3-14-19-13(18)8-15(20-14)21-16-22-17-24(23-16)12(9-25-17)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H,19,20,21,23).
What are the key properties of N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 370.87 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 108772307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).