3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide

C17H22N2O2S — CID 110025280

IUPAC3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide
SMILESCCC(NC(=O)CC(C)(O)c1ccccc1)c1nc(C)cs1
InChIInChI=1S/C17H22N2O2S/c1-4-14(16-18-12(2)11-22-16)19-15(20)10-17(3,21)13-8-6-5-7-9-13/h5-9,11,14,21H,4,10H2,1-3H3,(H,19,20)
InChIKeyUFRJNCMGBLIIMY-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.32
Rot. Bonds6

About 3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide

3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide (PubChem CID 110025280) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide
PubChem CID110025280
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide
SMILESCCC(NC(=O)CC(C)(O)c1ccccc1)c1nc(C)cs1
InChIInChI=1S/C17H22N2O2S/c1-4-14(16-18-12(2)11-22-16)19-15(20)10-17(3,21)13-8-6-5-7-9-13/h5-9,11,14,21H,4,10H2,1-3H3,(H,19,20)
InChIKeyUFRJNCMGBLIIMY-UHFFFAOYSA-N
XLogP3.32
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid
CID 119133807
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119879007
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide
CID 110025690
1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97096512
4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid
CID 122001041
1-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-3-[(2S)-2-hydroxy-2-phenylpropyl]urea
CID 97008408
3,3-dimethyl-5-oxo-5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pentanoic acid
CID 119139751
3-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,3-dicarboxamide
CID 119121660
3-hydroxy-N-(1-methylsulfanylbutan-2-yl)-3-phenylbutanamide
CID 110026435
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide (CID 110025280) is 3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide is CCC(NC(=O)CC(C)(O)c1ccccc1)c1nc(C)cs1.
What is the InChIKey of 3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide?
The InChIKey is UFRJNCMGBLIIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-4-14(16-18-12(2)11-22-16)19-15(20)10-17(3,21)13-8-6-5-7-9-13/h5-9,11,14,21H,4,10H2,1-3H3,(H,19,20).
What are the key properties of 3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide?
3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide has a molecular weight of 318.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide is sourced from PubChem (CID 110025280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).