N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide

C13H13FN2OS — CID 110471801

IUPACN-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(NC(=O)c1cscn1)c1cccc(F)c1
InChIInChI=1S/C13H13FN2OS/c1-13(2,9-4-3-5-10(14)6-9)16-12(17)11-7-18-8-15-11/h3-8H,1-2H3,(H,16,17)
InChIKeyAJNRYCCYPQMGBQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.95
Rot. Bonds3

About N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide

N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 110471801) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID110471801
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC NameN-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(C)(NC(=O)c1cscn1)c1cccc(F)c1
InChIInChI=1S/C13H13FN2OS/c1-13(2,9-4-3-5-10(14)6-9)16-12(17)11-7-18-8-15-11/h3-8H,1-2H3,(H,16,17)
InChIKeyAJNRYCCYPQMGBQ-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
CID 110472200
N-[2-(4-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 110462220
N-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 154068900
N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110470332
(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
CID 119330298
N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75425983
N-(1-bromo-2-methylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 114307887
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide
CID 111335295
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-[2-(3-chlorophenyl)propan-2-yl]pyrazine-2-carboxamide
CID 110443744
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (CID 110471801) is N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is CC(C)(NC(=O)c1cscn1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is AJNRYCCYPQMGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-13(2,9-4-3-5-10(14)6-9)16-12(17)11-7-18-8-15-11/h3-8H,1-2H3,(H,16,17).
What are the key properties of N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110471801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).