N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide

C15H18N2OS — CID 108737483

IUPACN-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
SMILESCCCC(=O)NCc1csc(-c2ccccc2C)n1
InChIInChI=1S/C15H18N2OS/c1-3-6-14(18)16-9-12-10-19-15(17-12)13-8-5-4-7-11(13)2/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,18)
InChIKeyYZLLYRMZYKPWRL-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.53
Rot. Bonds5

About N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide

N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide (PubChem CID 108737483) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
PubChem CID108737483
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
SMILESCCCC(=O)NCc1csc(-c2ccccc2C)n1
InChIInChI=1S/C15H18N2OS/c1-3-6-14(18)16-9-12-10-19-15(17-12)13-8-5-4-7-11(13)2/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,18)
InChIKeyYZLLYRMZYKPWRL-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide
CID 108737518
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
3-indolo[3,2-b]quinoxalin-6-yl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737510
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclohexanecarboxamide
CID 108760316
3-fluoro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108737461
3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108760326
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108760341
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108810114
3,4,5-trimethoxy-N-[2-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 108760331
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 108737407

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide?
The IUPAC name of N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide (CID 108737483) is N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide.
What is the SMILES notation for N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide?
The canonical SMILES for N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide is CCCC(=O)NCc1csc(-c2ccccc2C)n1.
What is the InChIKey of N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide?
The InChIKey is YZLLYRMZYKPWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-6-14(18)16-9-12-10-19-15(17-12)13-8-5-4-7-11(13)2/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,18).
What are the key properties of N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide?
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide has a molecular weight of 274.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide is sourced from PubChem (CID 108737483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).