N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide

C14H16N2O2S — CID 71852991

IUPACN-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(CC(O)c1ccccc1)NC(=O)c1cscn1
InChIInChI=1S/C14H16N2O2S/c1-10(16-14(18)12-8-19-9-15-12)7-13(17)11-5-3-2-4-6-11/h2-6,8-10,13,17H,7H2,1H3,(H,16,18)
InChIKeyGSHYQWSTRDGPAR-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.39
Rot. Bonds5

About N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide

N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71852991) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID71852991
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(CC(O)c1ccccc1)NC(=O)c1cscn1
InChIInChI=1S/C14H16N2O2S/c1-10(16-14(18)12-8-19-9-15-12)7-13(17)11-5-3-2-4-6-11/h2-6,8-10,13,17H,7H2,1H3,(H,16,18)
InChIKeyGSHYQWSTRDGPAR-UHFFFAOYSA-N
XLogP2.39
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
(2S,4S)-2-methyl-4-(1,3-thiazole-4-carbonylamino)pentanoic acid
CID 90378227
N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide
CID 97228127
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-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63038597
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-1,3-thiazole-4-carboxamide
CID 63021833
2-phenyl-1-(1,3-thiazol-4-yl)propan-1-one
CID 130610113
N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037033
N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63049098

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide (CID 71852991) is N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide is CC(CC(O)c1ccccc1)NC(=O)c1cscn1.
What is the InChIKey of N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GSHYQWSTRDGPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10(16-14(18)12-8-19-9-15-12)7-13(17)11-5-3-2-4-6-11/h2-6,8-10,13,17H,7H2,1H3,(H,16,18).
What are the key properties of N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide?
N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71852991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).