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

C12H11FN2O2S — CID 99827913

IUPACN-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2scnc2C)ccc1F
InChIInChI=1S/C12H11FN2O2S/c1-7-11(18-6-14-7)12(16)15-8-3-4-9(13)10(5-8)17-2/h3-6H,1-2H3,(H,15,16)
InChIKeyZFFXELPTLSADGN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.85
Rot. Bonds3

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

N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 99827913) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID99827913
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2scnc2C)ccc1F
InChIInChI=1S/C12H11FN2O2S/c1-7-11(18-6-14-7)12(16)15-8-3-4-9(13)10(5-8)17-2/h3-6H,1-2H3,(H,15,16)
InChIKeyZFFXELPTLSADGN-UHFFFAOYSA-N
XLogP2.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
N-(3-amino-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18072743
N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64782010
N-(3-carbamothioyl-4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55057585
N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47208307
N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 42645473
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-amino-N-(4-fluoro-3-methoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 114841246
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 65437435
4-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 5297318

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 99827913) is N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1cc(NC(=O)c2scnc2C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZFFXELPTLSADGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-7-11(18-6-14-7)12(16)15-8-3-4-9(13)10(5-8)17-2/h3-6H,1-2H3,(H,15,16).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 99827913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).