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

C18H13ClFN5S — CID 56953573

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESCc1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)nc(C)n1
InChIInChI=1S/C18H13ClFN5S/c1-9-8-14(23-10(2)22-9)25-17-16-13(6-7-21-17)24-18(26-16)15-11(19)4-3-5-12(15)20/h3-8H,1-2H3,(H,21,22,23,25)
InChIKeyOIDOZNPPGSVFPP-UHFFFAOYSA-N
MW385.86 g/mol
LogP5.30
Rot. Bonds3

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

2-(2-chloro-6-fluorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine (PubChem CID 56953573) has the molecular formula C18H13ClFN5S and a molecular weight of 385.86 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
PubChem CID56953573
Molecular FormulaC18H13ClFN5S
Molecular Weight385.86 g/mol
Exact Mass385.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine
SMILESCc1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)nc(C)n1
InChIInChI=1S/C18H13ClFN5S/c1-9-8-14(23-10(2)22-9)25-17-16-13(6-7-21-17)24-18(26-16)15-11(19)4-3-5-12(15)20/h3-8H,1-2H3,(H,21,22,23,25)
InChIKeyOIDOZNPPGSVFPP-UHFFFAOYSA-N
XLogP5.30
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.86
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine (CID 56953573) is 2-(2-chloro-6-fluorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine is Cc1cc(Nc2nccc3nc(-c4c(F)cccc4Cl)sc23)nc(C)n1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
The InChIKey is OIDOZNPPGSVFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5S/c1-9-8-14(23-10(2)22-9)25-17-16-13(6-7-21-17)24-18(26-16)15-11(19)4-3-5-12(15)20/h3-8H,1-2H3,(H,21,22,23,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine?
2-(2-chloro-6-fluorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine has a molecular weight of 385.86 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2,6-dimethylpyrimidin-4-yl)-[1,3]thiazolo[5,4-c]pyridin-4-amine is sourced from PubChem (CID 56953573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).