2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine

C18H14ClN5S — CID 66801835

IUPAC2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESCc1cc(Nc2nccc3nc(-c4ccccc4Cl)sc23)nc(C)n1
InChIInChI=1S/C18H14ClN5S/c1-10-9-15(22-11(2)21-10)24-17-16-14(7-8-20-17)23-18(25-16)12-5-3-4-6-13(12)19/h3-9H,1-2H3,(H,20,21,22,24)
InChIKeyGRYIJVOHSRGZOX-UHFFFAOYSA-N
MW367.87 g/mol
LogP5.16
Rot. Bonds3

About 2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine

2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine (PubChem CID 66801835) has the molecular formula C18H14ClN5S and a molecular weight of 367.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
PubChem CID66801835
Molecular FormulaC18H14ClN5S
Molecular Weight367.87 g/mol
Exact Mass367.07
IUPAC Name2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESCc1cc(Nc2nccc3nc(-c4ccccc4Cl)sc23)nc(C)n1
InChIInChI=1S/C18H14ClN5S/c1-10-9-15(22-11(2)21-10)24-17-16-14(7-8-20-17)23-18(25-16)12-5-3-4-6-13(12)19/h3-9H,1-2H3,(H,20,21,22,24)
InChIKeyGRYIJVOHSRGZOX-UHFFFAOYSA-N
XLogP5.16
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.87
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine (CID 66801835) is 2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine is Cc1cc(Nc2nccc3nc(-c4ccccc4Cl)sc23)nc(C)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The InChIKey is GRYIJVOHSRGZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5S/c1-10-9-15(22-11(2)21-10)24-17-16-14(7-8-20-17)23-18(25-16)12-5-3-4-6-13(12)19/h3-9H,1-2H3,(H,20,21,22,24).
What are the key properties of 2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine has a molecular weight of 367.87 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine is sourced from PubChem (CID 66801835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).