3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide

C16H20N2O2S — CID 110025690

IUPAC3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide
SMILESCc1cnc(C(C)NC(=O)CC(C)(O)c2ccccc2)s1
InChIInChI=1S/C16H20N2O2S/c1-11-10-17-15(21-11)12(2)18-14(19)9-16(3,20)13-7-5-4-6-8-13/h4-8,10,12,20H,9H2,1-3H3,(H,18,19)
InChIKeyKVBFCCKBYYQKDY-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.93
Rot. Bonds5

About 3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide

3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide (PubChem CID 110025690) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide
PubChem CID110025690
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide
SMILESCc1cnc(C(C)NC(=O)CC(C)(O)c2ccccc2)s1
InChIInChI=1S/C16H20N2O2S/c1-11-10-17-15(21-11)12(2)18-14(19)9-16(3,20)13-7-5-4-6-8-13/h4-8,10,12,20H,9H2,1-3H3,(H,18,19)
InChIKeyKVBFCCKBYYQKDY-UHFFFAOYSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethyl-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 115680494
2-[(2-methylpropan-2-yl)oxy]-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112629805
4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 82110975
1-(2-hydroxy-1-phenylethyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111840994
N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024356
3-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropanamide;dihydrochloride
CID 119898098
3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide
CID 110026094
3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide
CID 110025280
(2S)-2-amino-3,3-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119898119
1-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113251523
N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024335
1-(2-hydroxy-2,5-dimethylhexyl)-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111841005

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide (CID 110025690) is 3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide is Cc1cnc(C(C)NC(=O)CC(C)(O)c2ccccc2)s1.
What is the InChIKey of 3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide?
The InChIKey is KVBFCCKBYYQKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-10-17-15(21-11)12(2)18-14(19)9-16(3,20)13-7-5-4-6-8-13/h4-8,10,12,20H,9H2,1-3H3,(H,18,19).
What are the key properties of 3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide?
3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide has a molecular weight of 304.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide is sourced from PubChem (CID 110025690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).