N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide

C15H18N2OS — CID 110696304

IUPACN-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1nc(C)c(C)s1
InChIInChI=1S/C15H18N2OS/c1-4-17(10-13-8-6-5-7-9-13)15(18)14-16-11(2)12(3)19-14/h5-9H,4,10H2,1-3H3
InChIKeyMZLWAKPHIBLXNK-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.42
Rot. Bonds4

About N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide

N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide (PubChem CID 110696304) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
PubChem CID110696304
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1nc(C)c(C)s1
InChIInChI=1S/C15H18N2OS/c1-4-17(10-13-8-6-5-7-9-13)15(18)14-16-11(2)12(3)19-14/h5-9H,4,10H2,1-3H3
InChIKeyMZLWAKPHIBLXNK-UHFFFAOYSA-N
XLogP3.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4,5-dimethyl-N-phenyl-1,3-thiazole-2-carboxamide
CID 110696368
N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide
CID 72548750
N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615363
N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 70606713
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-2,5-dichloro-N-ethyl-4,6-dimethylpyridine-3-carboxamide
CID 5026450
N-benzyl-N-ethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385008
N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide
CID 110851810
N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669286
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide (CID 110696304) is N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1nc(C)c(C)s1.
What is the InChIKey of N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide?
The InChIKey is MZLWAKPHIBLXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-4-17(10-13-8-6-5-7-9-13)15(18)14-16-11(2)12(3)19-14/h5-9H,4,10H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide?
N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).