N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide

C10H6F2N2OS — CID 62045147

IUPACN-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cscn1
InChIInChI=1S/C10H6F2N2OS/c11-7-2-1-6(3-8(7)12)14-10(15)9-4-16-5-13-9/h1-5H,(H,14,15)
InChIKeyYBKQUHGQAWTTHL-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.67
Rot. Bonds2

About N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide

N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 62045147) has the molecular formula C10H6F2N2OS and a molecular weight of 240.23 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID62045147
Molecular FormulaC10H6F2N2OS
Molecular Weight240.23 g/mol
Exact Mass240.02
IUPAC NameN-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cscn1
InChIInChI=1S/C10H6F2N2OS/c11-7-2-1-6(3-8(7)12)14-10(15)9-4-16-5-13-9/h1-5H,(H,14,15)
InChIKeyYBKQUHGQAWTTHL-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680
N-(3-carbamothioyl-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 63022696
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 62045979
4-amino-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 62154867
N-[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 84600348
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 63050132
N-[4-cyano-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 65483586

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 62045147) is N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cscn1.
What is the InChIKey of N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YBKQUHGQAWTTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2OS/c11-7-2-1-6(3-8(7)12)14-10(15)9-4-16-5-13-9/h1-5H,(H,14,15).
What are the key properties of N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 240.23 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62045147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).