N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide

C13H12F2N2OS — CID 63038597

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)c1cscn1
InChIInChI=1S/C13H12F2N2OS/c1-8(17-13(18)12-6-19-7-16-12)5-9-10(14)3-2-4-11(9)15/h2-4,6-8H,5H2,1H3,(H,17,18)
InChIKeyIJTXIAISSPPAIW-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.78
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide

N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 63038597) has the molecular formula C13H12F2N2OS and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID63038597
Molecular FormulaC13H12F2N2OS
Molecular Weight282.31 g/mol
Exact Mass282.06
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)c1cscn1
InChIInChI=1S/C13H12F2N2OS/c1-8(17-13(18)12-6-19-7-16-12)5-9-10(14)3-2-4-11(9)15/h2-4,6-8H,5H2,1H3,(H,17,18)
InChIKeyIJTXIAISSPPAIW-UHFFFAOYSA-N
XLogP2.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63049098
N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 55144973
2-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 66377259
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038066
N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 75387926
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 71852991
(2S,4S)-2-methyl-4-(1,3-thiazole-4-carbonylamino)pentanoic acid
CID 90378227
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
CID 60932780

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide (CID 63038597) is N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is CC(Cc1c(F)cccc1F)NC(=O)c1cscn1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is IJTXIAISSPPAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2OS/c1-8(17-13(18)12-6-19-7-16-12)5-9-10(14)3-2-4-11(9)15/h2-4,6-8H,5H2,1H3,(H,17,18).
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide?
N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63038597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).