2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide

C17H12F2N2O2S — CID 110018847

IUPAC2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C17H12F2N2O2S/c18-13-5-4-11(7-14(13)19)17-20-8-15(24-17)16(23)21-12-3-1-2-10(6-12)9-22/h1-8,22H,9H2,(H,21,23)
InChIKeyRKACTUZFQMUENZ-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.83
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide

2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 110018847) has the molecular formula C17H12F2N2O2S and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID110018847
Molecular FormulaC17H12F2N2O2S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C17H12F2N2O2S/c18-13-5-4-11(7-14(13)19)17-20-8-15(24-17)16(23)21-12-3-1-2-10(6-12)9-22/h1-8,22H,9H2,(H,21,23)
InChIKeyRKACTUZFQMUENZ-UHFFFAOYSA-N
XLogP3.83
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 86798571
2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 110021620
2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 110021490
2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide
CID 110021373
N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-(3,4-difluorophenyl)-1,3-thiazole-5-carboxamide
CID 166221330
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527
2,4,6-trifluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 65100821
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86961679
2-chloro-5-fluoro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 114034177
N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide
CID 78986764
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 110908880
2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 110021988

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 110018847) is 2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide is O=C(Nc1cccc(CO)c1)c1cnc(-c2ccc(F)c(F)c2)s1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RKACTUZFQMUENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2S/c18-13-5-4-11(7-14(13)19)17-20-8-15(24-17)16(23)21-12-3-1-2-10(6-12)9-22/h1-8,22H,9H2,(H,21,23).
What are the key properties of 2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide?
2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110018847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).