N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide

C15H16N2O2S — CID 20969075

IUPACN-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide
SMILESCc1csc(NC(=O)CCCC(=O)c2ccccc2)n1
InChIInChI=1S/C15H16N2O2S/c1-11-10-20-15(16-11)17-14(19)9-5-8-13(18)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,17,19)
InChIKeyBNEDQPUQOFORHQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.44
Rot. Bonds6

About N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide

N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide (PubChem CID 20969075) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide
PubChem CID20969075
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide
SMILESCc1csc(NC(=O)CCCC(=O)c2ccccc2)n1
InChIInChI=1S/C15H16N2O2S/c1-11-10-20-15(16-11)17-14(19)9-5-8-13(18)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,17,19)
InChIKeyBNEDQPUQOFORHQ-UHFFFAOYSA-N
XLogP3.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide (CID 20969075) is N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide is Cc1csc(NC(=O)CCCC(=O)c2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide?
The InChIKey is BNEDQPUQOFORHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11-10-20-15(16-11)17-14(19)9-5-8-13(18)12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,17,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide?
N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide has a molecular weight of 288.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 20969075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).