N-benzyl-N-butylthiadiazole-4-carboxamide

C14H17N3OS — CID 42789403

IUPACN-benzyl-N-butylthiadiazole-4-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)c1csnn1
InChIInChI=1S/C14H17N3OS/c1-2-3-9-17(10-12-7-5-4-6-8-12)14(18)13-11-19-16-15-13/h4-8,11H,2-3,9-10H2,1H3
InChIKeyJBEDZJJQAOXSIR-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.98
Rot. Bonds6

About N-benzyl-N-butylthiadiazole-4-carboxamide

N-benzyl-N-butylthiadiazole-4-carboxamide (PubChem CID 42789403) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-benzyl-N-butylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butylthiadiazole-4-carboxamide
PubChem CID42789403
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-benzyl-N-butylthiadiazole-4-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)c1csnn1
InChIInChI=1S/C14H17N3OS/c1-2-3-9-17(10-12-7-5-4-6-8-12)14(18)13-11-19-16-15-13/h4-8,11H,2-3,9-10H2,1H3
InChIKeyJBEDZJJQAOXSIR-UHFFFAOYSA-N
XLogP2.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-chloroethyl)thiadiazole-4-carboxamide
CID 65216361
N-(2-bromoethyl)-N-butylthiadiazole-4-carboxamide
CID 80662596
N-benzyl-N-octylpyridine-2-carboxamide
CID 42778827
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 42796243
N,N-diethylthiadiazole-4-carboxamide
CID 60757863
N-benzyl-N-butylpropanamide
CID 12502571
N-benzyl-N-butyl-2-iodobenzamide
CID 141495475
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082
N-benzyl-N-pentyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 90120721
N-(3-amino-3-sulfanylidenepropyl)-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 65216045
N-ethyl-N-(2-hydroxyethyl)thiadiazole-4-carboxamide
CID 61067354
N-benzyl-N-(3-phenylphenyl)thiadiazole-4-carboxamide
CID 42789521

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butylthiadiazole-4-carboxamide?
The IUPAC name of N-benzyl-N-butylthiadiazole-4-carboxamide (CID 42789403) is N-benzyl-N-butylthiadiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-butylthiadiazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-butylthiadiazole-4-carboxamide is CCCCN(Cc1ccccc1)C(=O)c1csnn1.
What is the InChIKey of N-benzyl-N-butylthiadiazole-4-carboxamide?
The InChIKey is JBEDZJJQAOXSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-3-9-17(10-12-7-5-4-6-8-12)14(18)13-11-19-16-15-13/h4-8,11H,2-3,9-10H2,1H3.
What are the key properties of N-benzyl-N-butylthiadiazole-4-carboxamide?
N-benzyl-N-butylthiadiazole-4-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butylthiadiazole-4-carboxamide is sourced from PubChem (CID 42789403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).