N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C15H12FN3OS — CID 42569304

IUPACN-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)Nc1ccccc1F
InChIInChI=1S/C15H12FN3OS/c1-10-13(21-15(17-10)19-8-4-5-9-19)14(20)18-12-7-3-2-6-11(12)16/h2-9H,1H3,(H,18,20)
InChIKeyXQVVARXHVUTWAF-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.63
Rot. Bonds3

About N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 42569304) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID42569304
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC NameN-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)Nc1ccccc1F
InChIInChI=1S/C15H12FN3OS/c1-10-13(21-15(17-10)19-8-4-5-9-19)14(20)18-12-7-3-2-6-11(12)16/h2-9H,1H3,(H,18,20)
InChIKeyXQVVARXHVUTWAF-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
N,4-dimethyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53013907
4-methyl-N-(3-phenylpropyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 20889831
N-(2-fluorophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 24624236
N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 29133126
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 28934755
(2S)-3-methyl-2-[(4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 45490970
N-(2-fluorophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741091
4-methyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 90564904
4-fluoro-N-(2-fluorophenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8777289
4-methyl-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 127254885
2-(2-fluoro-6-methoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42535275

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 42569304) is N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is XQVVARXHVUTWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-10-13(21-15(17-10)19-8-4-5-9-19)14(20)18-12-7-3-2-6-11(12)16/h2-9H,1H3,(H,18,20).
What are the key properties of N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42569304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).