2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide

C15H17N3O2S — CID 141096412

IUPAC2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)CCc1ncc(C(N)=O)s1
InChIInChI=1S/C15H17N3O2S/c1-18(10-11-5-3-2-4-6-11)14(19)8-7-13-17-9-12(21-13)15(16)20/h2-6,9H,7-8,10H2,1H3,(H2,16,20)
InChIKeyIVIOMIMSAWBCEW-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.83
Rot. Bonds6

About 2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide

2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide (PubChem CID 141096412) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide
PubChem CID141096412
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)CCc1ncc(C(N)=O)s1
InChIInChI=1S/C15H17N3O2S/c1-18(10-11-5-3-2-4-6-11)14(19)8-7-13-17-9-12(21-13)15(16)20/h2-6,9H,7-8,10H2,1H3,(H2,16,20)
InChIKeyIVIOMIMSAWBCEW-UHFFFAOYSA-N
XLogP1.83
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl(phenylmethoxycarbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 165499329
N-benzyl-3-[[N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-methylpropanamide;hydroiodide
CID 111531754
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 78771008
N-benzyl-N-methylpentanamide
CID 4629611
N-benzyl-3-(3,5-dioxopyrazolidin-4-yl)-N-methylpropanamide
CID 110703657
1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone
CID 57302328
3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536
2-[3-(dimethylamino)-3-oxopropyl]-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 141096380
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
(2S)-2-amino-5-[benzyl(methyl)amino]-5-oxopentanoic acid;hydrochloride
CID 166748454
5-N-benzyl-5-N-methylpyridine-2,5-dicarboxamide
CID 47460377

Frequently Asked Questions

What is the IUPAC name of 2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide (CID 141096412) is 2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide is CN(Cc1ccccc1)C(=O)CCc1ncc(C(N)=O)s1.
What is the InChIKey of 2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IVIOMIMSAWBCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-18(10-11-5-3-2-4-6-11)14(19)8-7-13-17-9-12(21-13)15(16)20/h2-6,9H,7-8,10H2,1H3,(H2,16,20).
What are the key properties of 2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide?
2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[benzyl(methyl)amino]-3-oxopropyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141096412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).