3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide

C10H10N4OS — CID 71807152

IUPAC3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C10H10N4OS/c1-7-13-10(16-14-7)9(15)12-6-8-3-2-4-11-5-8/h2-5H,6H2,1H3,(H,12,15)
InChIKeyIODBOJOCBNFXBL-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.17
Rot. Bonds3

About 3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide

3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807152) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807152
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C10H10N4OS/c1-7-13-10(16-14-7)9(15)12-6-8-3-2-4-11-5-8/h2-5H,6H2,1H3,(H,12,15)
InChIKeyIODBOJOCBNFXBL-UHFFFAOYSA-N
XLogP1.17
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide (CID 71807152) is 3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCc2cccnc2)n1.
What is the InChIKey of 3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is IODBOJOCBNFXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-7-13-10(16-14-7)9(15)12-6-8-3-2-4-11-5-8/h2-5H,6H2,1H3,(H,12,15).
What are the key properties of 3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide?
3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 234.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).