3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide

C16H20N2O2S — CID 122133474

IUPAC3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide
SMILESCCC(C)C(C(=O)NCc1csc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-3-11(2)14(12-7-5-4-6-8-12)15(19)17-9-13-10-21-16(20)18-13/h4-8,10-11,14H,3,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLFTKUYMMRCPFIN-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.88
Rot. Bonds6

About 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide

3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide (PubChem CID 122133474) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide.

Molecular Properties

Compound Name3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide
PubChem CID122133474
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide
SMILESCCC(C)C(C(=O)NCc1csc(=O)[nH]1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-3-11(2)14(12-7-5-4-6-8-12)15(19)17-9-13-10-21-16(20)18-13/h4-8,10-11,14H,3,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyLFTKUYMMRCPFIN-UHFFFAOYSA-N
XLogP2.88
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381235
3-methyl-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 106382853
3-methyl-2-phenyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
CID 60999920
N-(2-aminobutyl)-3-methyl-2-phenylpentanamide
CID 63731148
N-(3-chloro-2-methylpropyl)-3-methyl-2-phenylpentanamide
CID 114302680
N-(3-bromobutyl)-3-methyl-2-phenylpentanamide
CID 114312530
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
4-[[(2-amino-3-methylpentyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381832
N-but-3-enyl-3-methyl-2-phenylpentanamide
CID 113466088
N-[2-(2-methoxyethylamino)ethyl]-3-methyl-2-phenylpentanamide
CID 82990815
N-(1,3-dihydroxypropan-2-yl)-3-methyl-2-phenylpentanamide
CID 65315116
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 114181747

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide?
The IUPAC name of 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide (CID 122133474) is 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide.
What is the SMILES notation for 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide?
The canonical SMILES for 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide is CCC(C)C(C(=O)NCc1csc(=O)[nH]1)c1ccccc1.
What is the InChIKey of 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide?
The InChIKey is LFTKUYMMRCPFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-11(2)14(12-7-5-4-6-8-12)15(19)17-9-13-10-21-16(20)18-13/h4-8,10-11,14H,3,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide?
3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide has a molecular weight of 304.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-phenylpentanamide is sourced from PubChem (CID 122133474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).