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

C15H18N2OS — CID 108737460

IUPAC2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCc1ccccc1-c1nc(CNC(=O)C(C)C)cs1
InChIInChI=1S/C15H18N2OS/c1-10(2)14(18)16-8-12-9-19-15(17-12)13-7-5-4-6-11(13)3/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeySBFTTXBXZCCRHF-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.39
Rot. Bonds4

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

2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 108737460) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID108737460
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCc1ccccc1-c1nc(CNC(=O)C(C)C)cs1
InChIInChI=1S/C15H18N2OS/c1-10(2)14(18)16-8-12-9-19-15(17-12)13-7-5-4-6-11(13)3/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeySBFTTXBXZCCRHF-UHFFFAOYSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108760341
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]butanamide
CID 108737483
3-chloro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108760326
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclohexanecarboxamide
CID 108760316
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrimidin-2-amine
CID 108775470
3-fluoro-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108737461
tert-butyl N-[1-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 108760293
4-(4-methylphenyl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-oxobutanamide
CID 108737518
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
N-[2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
CID 110317372
N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 108737407
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide (CID 108737460) is 2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide is Cc1ccccc1-c1nc(CNC(=O)C(C)C)cs1.
What is the InChIKey of 2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is SBFTTXBXZCCRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10(2)14(18)16-8-12-9-19-15(17-12)13-7-5-4-6-11(13)3/h4-7,9-10H,8H2,1-3H3,(H,16,18).
What are the key properties of 2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide?
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 274.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 108737460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).