4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide

C16H20N2OS — CID 144669416

IUPAC4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide
SMILESCC(C)CCC(=O)NCc1cccc(-c2nccs2)c1
InChIInChI=1S/C16H20N2OS/c1-12(2)6-7-15(19)18-11-13-4-3-5-14(10-13)16-17-8-9-20-16/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,18,19)
InChIKeyKGAUQJUFCJPGIR-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.86
Rot. Bonds6

About 4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide

4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide (PubChem CID 144669416) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide
PubChem CID144669416
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide
SMILESCC(C)CCC(=O)NCc1cccc(-c2nccs2)c1
InChIInChI=1S/C16H20N2OS/c1-12(2)6-7-15(19)18-11-13-4-3-5-14(10-13)16-17-8-9-20-16/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,18,19)
InChIKeyKGAUQJUFCJPGIR-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diphenyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 54774183
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 54770856
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233
N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide
CID 142902094
1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545932
N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71801661
methyl 3-[(4-methylpentanoylamino)methyl]benzoate
CID 144669400
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]ethanimidamide
CID 123946042
1-(4-methylphenyl)-3-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 90014523
3-(3,5-dichlorophenyl)-1-propan-2-yl-1-[[3-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 90014455

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide?
The IUPAC name of 4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide (CID 144669416) is 4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide?
The canonical SMILES for 4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide is CC(C)CCC(=O)NCc1cccc(-c2nccs2)c1.
What is the InChIKey of 4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide?
The InChIKey is KGAUQJUFCJPGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12(2)6-7-15(19)18-11-13-4-3-5-14(10-13)16-17-8-9-20-16/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide?
4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide has a molecular weight of 288.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pentanamide is sourced from PubChem (CID 144669416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).