N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide

C13H14N2OS — CID 110851810

IUPACN-benzyl-N-ethyl-1,3-thiazole-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cncs1
InChIInChI=1S/C13H14N2OS/c1-2-15(9-11-6-4-3-5-7-11)13(16)12-8-14-10-17-12/h3-8,10H,2,9H2,1H3
InChIKeyXVCCHWCCZIHWDR-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.81
Rot. Bonds4

About N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide

N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 110851810) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1,3-thiazole-5-carboxamide
PubChem CID110851810
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-benzyl-N-ethyl-1,3-thiazole-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cncs1
InChIInChI=1S/C13H14N2OS/c1-2-15(9-11-6-4-3-5-7-11)13(16)12-8-14-10-17-12/h3-8,10H,2,9H2,1H3
InChIKeyXVCCHWCCZIHWDR-UHFFFAOYSA-N
XLogP2.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide
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N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
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N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
ethyl(1,3-thiazol-5-ylmethyl)carbamic acid
CID 70246505
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
N-benzyl-N-ethyl-2-methyltriazole-4-carboxamide
CID 110691383
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-ethylisoquinoline-8-carboxamide
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5-(benzenesulfonyl)-N-benzyl-N-ethylthiophene-2-carboxamide
CID 53124472

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide (CID 110851810) is N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide is CCN(Cc1ccccc1)C(=O)c1cncs1.
What is the InChIKey of N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is XVCCHWCCZIHWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-15(9-11-6-4-3-5-7-11)13(16)12-8-14-10-17-12/h3-8,10H,2,9H2,1H3.
What are the key properties of N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide?
N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.81, 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-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110851810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).