4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide

C11H3Cl2F2N3OS — CID 1087803

IUPAC4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide
SMILESN#Cc1cc(F)c(NC(=O)c2nsc(Cl)c2Cl)cc1F
InChIInChI=1S/C11H3Cl2F2N3OS/c12-8-9(18-20-10(8)13)11(19)17-7-2-5(14)4(3-16)1-6(7)15/h1-2H,(H,17,19)
InChIKeyKDBWSQRLCJVXFM-UHFFFAOYSA-N
MW334.13 g/mol
LogP3.85
Rot. Bonds2

About 4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide

4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide (PubChem CID 1087803) has the molecular formula C11H3Cl2F2N3OS and a molecular weight of 334.13 g/mol. Its IUPAC name is 4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide
PubChem CID1087803
Molecular FormulaC11H3Cl2F2N3OS
Molecular Weight334.13 g/mol
Exact Mass332.93
IUPAC Name4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide
SMILESN#Cc1cc(F)c(NC(=O)c2nsc(Cl)c2Cl)cc1F
InChIInChI=1S/C11H3Cl2F2N3OS/c12-8-9(18-20-10(8)13)11(19)17-7-2-5(14)4(3-16)1-6(7)15/h1-2H,(H,17,19)
InChIKeyKDBWSQRLCJVXFM-UHFFFAOYSA-N
XLogP3.85
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide (CID 1087803) is 4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide is N#Cc1cc(F)c(NC(=O)c2nsc(Cl)c2Cl)cc1F.
What is the InChIKey of 4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide?
The InChIKey is KDBWSQRLCJVXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3Cl2F2N3OS/c12-8-9(18-20-10(8)13)11(19)17-7-2-5(14)4(3-16)1-6(7)15/h1-2H,(H,17,19).
What are the key properties of 4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide?
4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide has a molecular weight of 334.13 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(4-cyano-2,5-difluorophenyl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 1087803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).