N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C11H8F2N2OS — CID 47035313

IUPACN-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H8F2N2OS/c1-6-10(17-5-14-6)11(16)15-7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,15,16)
InChIKeyFQYGKAUDDZBNQZ-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.98
Rot. Bonds2

About N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47035313) has the molecular formula C11H8F2N2OS and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID47035313
Molecular FormulaC11H8F2N2OS
Molecular Weight254.26 g/mol
Exact Mass254.03
IUPAC NameN-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H8F2N2OS/c1-6-10(17-5-14-6)11(16)15-7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,15,16)
InChIKeyFQYGKAUDDZBNQZ-UHFFFAOYSA-N
XLogP2.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64782010
N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18072743
N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99827913
N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55057585
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 65437435
N-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18071701
2-hydroxy-5-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 24697420
N-(4-acetylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24702385
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318
N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 54102334
4-methyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 43601937
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60804690

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 47035313) is N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FQYGKAUDDZBNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2OS/c1-6-10(17-5-14-6)11(16)15-7-2-3-8(12)9(13)4-7/h2-5H,1H3,(H,15,16).
What are the key properties of N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 254.26 g/mol, XLogP of 2.98, 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)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47035313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).