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

C13H14N2OS — CID 38018562

IUPAC2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C13H14N2OS/c1-2-14-13(16)11-9-17-12(15-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,16)
InChIKeyLGYJBOAOHQICLT-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.48
Rot. Bonds4

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

2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 38018562) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID38018562
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C13H14N2OS/c1-2-14-13(16)11-9-17-12(15-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,16)
InChIKeyLGYJBOAOHQICLT-UHFFFAOYSA-N
XLogP2.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 110436454
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 70739356
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
6-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220206
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119405606
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753
N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 120508270
2-benzyl-N-[3-(4-hydroxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 86973043
2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 86950398

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide (CID 38018562) is 2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is LGYJBOAOHQICLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-14-13(16)11-9-17-12(15-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,14,16).
What are the key properties of 2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide?
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38018562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).