3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide

C14H16N2O2S — CID 110025160

IUPAC3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide
SMILESCn1ccs/c1=N\C(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-14(18,11-6-4-3-5-7-11)10-12(17)15-13-16(2)8-9-19-13/h3-9,18H,10H2,1-2H3/b15-13-
InChIKeyKJSSCWMFOZMDQM-SQFISAMPSA-N
MW276.36 g/mol
LogP1.81
Rot. Bonds3

About 3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide

3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide (PubChem CID 110025160) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide
PubChem CID110025160
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide
SMILESCn1ccs/c1=N\C(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-14(18,11-6-4-3-5-7-11)10-12(17)15-13-16(2)8-9-19-13/h3-9,18H,10H2,1-2H3/b15-13-
InChIKeyKJSSCWMFOZMDQM-SQFISAMPSA-N
XLogP1.81
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide (CID 110025160) is 3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide is Cn1ccs/c1=N\C(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide?
The InChIKey is KJSSCWMFOZMDQM-SQFISAMPSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(18,11-6-4-3-5-7-11)10-12(17)15-13-16(2)8-9-19-13/h3-9,18H,10H2,1-2H3/b15-13-.
What are the key properties of 3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide?
3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide has a molecular weight of 276.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-phenylbutanamide is sourced from PubChem (CID 110025160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).