N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

C14H16N2O2S — CID 43394006

IUPACN-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(O)c2ccccc2)s1
InChIInChI=1S/C14H16N2O2S/c1-9-13(19-10(2)16-9)14(18)15-8-12(17)11-6-4-3-5-7-11/h3-7,12,17H,8H2,1-2H3,(H,15,18)
InChIKeyAFLZJEBWSKOBEH-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.22
Rot. Bonds4

About N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 43394006) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID43394006
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(O)c2ccccc2)s1
InChIInChI=1S/C14H16N2O2S/c1-9-13(19-10(2)16-9)14(18)15-8-12(17)11-6-4-3-5-7-11/h3-7,12,17H,8H2,1-2H3,(H,15,18)
InChIKeyAFLZJEBWSKOBEH-UHFFFAOYSA-N
XLogP2.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 111422767
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
CID 43240578
N-(2-hydroxy-4-methylpentyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103771231
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 43240530
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 93482434
2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120826574
N-(2-hydroxy-2-phenylethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79881793
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42947638
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 39985317
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-(2-cyclopentyl-2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 111426342

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 43394006) is N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC(O)c2ccccc2)s1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is AFLZJEBWSKOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-13(19-10(2)16-9)14(18)15-8-12(17)11-6-4-3-5-7-11/h3-7,12,17H,8H2,1-2H3,(H,15,18).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 43394006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).