N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide

C13H12F2N2O2S — CID 111335295

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cscn1)c1ccc(F)cc1F
InChIInChI=1S/C13H12F2N2O2S/c1-13(19,9-3-2-8(14)4-10(9)15)6-16-12(18)11-5-20-7-17-11/h2-5,7,19H,6H2,1H3,(H,16,18)
InChIKeyKYKUSIRPWHNJHZ-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.06
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide (PubChem CID 111335295) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide
PubChem CID111335295
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide
SMILESCC(O)(CNC(=O)c1cscn1)c1ccc(F)cc1F
InChIInChI=1S/C13H12F2N2O2S/c1-13(19,9-3-2-8(14)4-10(9)15)6-16-12(18)11-5-20-7-17-11/h2-5,7,19H,6H2,1H3,(H,16,18)
InChIKeyKYKUSIRPWHNJHZ-UHFFFAOYSA-N
XLogP2.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 111335370
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 95627816
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
CID 96549083
1-tert-butyl-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]pyrazole-4-carboxamide
CID 95627810
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide
CID 111335304
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
N-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110482303
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide
CID 110014829
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide
CID 111335366
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide
CID 111335508
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 111519728

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide (CID 111335295) is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide is CC(O)(CNC(=O)c1cscn1)c1ccc(F)cc1F.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KYKUSIRPWHNJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-13(19,9-3-2-8(14)4-10(9)15)6-16-12(18)11-5-20-7-17-11/h2-5,7,19H,6H2,1H3,(H,16,18).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide?
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111335295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).