1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea

C15H9ClFN5OS — CID 56952315

IUPAC1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea
SMILESCNC(=O)Nc1nccc2nc(-c3c(F)cc(C#N)cc3Cl)sc12
InChIInChI=1S/C15H9ClFN5OS/c1-19-15(23)22-13-12-10(2-3-20-13)21-14(24-12)11-8(16)4-7(6-18)5-9(11)17/h2-5H,1H3,(H2,19,20,22,23)
InChIKeyHONQJKPXGLDZHR-UHFFFAOYSA-N
MW361.79 g/mol
LogP3.77
Rot. Bonds2

About 1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea

1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea (PubChem CID 56952315) has the molecular formula C15H9ClFN5OS and a molecular weight of 361.79 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea
PubChem CID56952315
Molecular FormulaC15H9ClFN5OS
Molecular Weight361.79 g/mol
Exact Mass361.02
IUPAC Name1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea
SMILESCNC(=O)Nc1nccc2nc(-c3c(F)cc(C#N)cc3Cl)sc12
InChIInChI=1S/C15H9ClFN5OS/c1-19-15(23)22-13-12-10(2-3-20-13)21-14(24-12)11-8(16)4-7(6-18)5-9(11)17/h2-5H,1H3,(H2,19,20,22,23)
InChIKeyHONQJKPXGLDZHR-UHFFFAOYSA-N
XLogP3.77
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea?
The IUPAC name of 1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea (CID 56952315) is 1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea.
What is the SMILES notation for 1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea?
The canonical SMILES for 1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea is CNC(=O)Nc1nccc2nc(-c3c(F)cc(C#N)cc3Cl)sc12.
What is the InChIKey of 1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea?
The InChIKey is HONQJKPXGLDZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN5OS/c1-19-15(23)22-13-12-10(2-3-20-13)21-14(24-12)11-8(16)4-7(6-18)5-9(11)17/h2-5H,1H3,(H2,19,20,22,23).
What are the key properties of 1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea?
1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea has a molecular weight of 361.79 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-cyano-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-3-methylurea is sourced from PubChem (CID 56952315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).