N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide

C13H15N3OS — CID 70606713

IUPACN-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1snnc1C
InChIInChI=1S/C13H15N3OS/c1-3-16(9-11-7-5-4-6-8-11)13(17)12-10(2)14-15-18-12/h4-8H,3,9H2,1-2H3
InChIKeyUXQOYSWJEKJODN-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.51
Rot. Bonds4

About N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide

N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide (PubChem CID 70606713) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide
PubChem CID70606713
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1snnc1C
InChIInChI=1S/C13H15N3OS/c1-3-16(9-11-7-5-4-6-8-11)13(17)12-10(2)14-15-18-12/h4-8H,3,9H2,1-2H3
InChIKeyUXQOYSWJEKJODN-UHFFFAOYSA-N
XLogP2.51
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 65198931
N-(2-bromoethyl)-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 80660951
(2S)-2-[methyl-(4-methylthiadiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 129470279
N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696304
N-benzyl-N-ethyl-1,3-dimethylpyrazole-4-carboxamide
CID 45285247
N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
N-[(4-aminophenyl)methyl]-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65206802
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-4-carbamothioyl-N-ethylbenzamide
CID 28983877
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N-benzyl-N-ethyl-1,3-thiazole-5-carboxamide
CID 110851810
4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669286

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide (CID 70606713) is N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide is CCN(Cc1ccccc1)C(=O)c1snnc1C.
What is the InChIKey of N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide?
The InChIKey is UXQOYSWJEKJODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-3-16(9-11-7-5-4-6-8-11)13(17)12-10(2)14-15-18-12/h4-8H,3,9H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide?
N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 70606713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).