4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide

C12H14N4OS — CID 30768888

IUPAC4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCc1cccnc1
InChIInChI=1S/C12H14N4OS/c1-2-10-11(18-16-15-10)12(17)14-7-5-9-4-3-6-13-8-9/h3-4,6,8H,2,5,7H2,1H3,(H,14,17)
InChIKeyQTEMPQQADJBEIR-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.47
Rot. Bonds5

About 4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide

4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide (PubChem CID 30768888) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide
PubChem CID30768888
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCc1cccnc1
InChIInChI=1S/C12H14N4OS/c1-2-10-11(18-16-15-10)12(17)14-7-5-9-4-3-6-13-8-9/h3-4,6,8H,2,5,7H2,1H3,(H,14,17)
InChIKeyQTEMPQQADJBEIR-UHFFFAOYSA-N
XLogP1.47
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide
CID 34729675
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
4-ethyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 65210223
N-[(4-aminophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65205922
4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 65355277
N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 39573959
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
4-ethyl-2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 155970335
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide (CID 30768888) is 4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCCc1cccnc1.
What is the InChIKey of 4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide?
The InChIKey is QTEMPQQADJBEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-10-11(18-16-15-10)12(17)14-7-5-9-4-3-6-13-8-9/h3-4,6,8H,2,5,7H2,1H3,(H,14,17).
What are the key properties of 4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide?
4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-pyridin-3-ylethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 30768888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).