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

C13H13FN2OS — CID 63049098

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)c1cscn1
InChIInChI=1S/C13H13FN2OS/c1-9(6-10-2-4-11(14)5-3-10)16-13(17)12-7-18-8-15-12/h2-5,7-9H,6H2,1H3,(H,16,17)
InChIKeyAGZWVYVEPKOKSL-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.64
Rot. Bonds4

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

N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 63049098) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID63049098
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(Cc1ccc(F)cc1)NC(=O)c1cscn1
InChIInChI=1S/C13H13FN2OS/c1-9(6-10-2-4-11(14)5-3-10)16-13(17)12-7-18-8-15-12/h2-5,7-9H,6H2,1H3,(H,16,17)
InChIKeyAGZWVYVEPKOKSL-UHFFFAOYSA-N
XLogP2.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63038597
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 55144973
N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038066
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole-4-carboxamide
CID 130767344
3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369608
(2S,4S)-2-methyl-4-(1,3-thiazole-4-carbonylamino)pentanoic acid
CID 90378227
N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 75387926
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
6-amino-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 63009864

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (CID 63049098) is N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is CC(Cc1ccc(F)cc1)NC(=O)c1cscn1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is AGZWVYVEPKOKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-9(6-10-2-4-11(14)5-3-10)16-13(17)12-7-18-8-15-12/h2-5,7-9H,6H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63049098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).