2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide

C16H15FN2O2S — CID 111661369

IUPAC2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C16H15FN2O2S/c17-13-4-2-1-3-12(13)16-18-8-14(22-16)15(21)19-11-6-5-10(7-11)9-20/h1-6,8,10-11,20H,7,9H2,(H,19,21)/t10-,11+/m0/s1
InChIKeyJTJSIZAGYAKSTB-WDEREUQCSA-N
MW318.37 g/mol
LogP2.62
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide

2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 111661369) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID111661369
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C16H15FN2O2S/c17-13-4-2-1-3-12(13)16-18-8-14(22-16)15(21)19-11-6-5-10(7-11)9-20/h1-6,8,10-11,20H,7,9H2,(H,19,21)/t10-,11+/m0/s1
InChIKeyJTJSIZAGYAKSTB-WDEREUQCSA-N
XLogP2.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminospiro[3.3]heptan-1-yl)methyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 166313968
5-(4-chlorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]thiophene-2-carboxamide
CID 111661586
2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 120998344
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide
CID 111661211
2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661638
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111972019
2-[[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 119170175
2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 95331044
N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 100631360
4-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 111661572
4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide
CID 111661538
3-chloro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzothiophene-2-carboxamide
CID 111661150

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide (CID 111661369) is 2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is JTJSIZAGYAKSTB-WDEREUQCSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c17-13-4-2-1-3-12(13)16-18-8-14(22-16)15(21)19-11-6-5-10(7-11)9-20/h1-6,8,10-11,20H,7,9H2,(H,19,21)/t10-,11+/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide?
2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111661369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).