4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide

C10H9ClN4OS — CID 7802676

IUPAC4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(Cl)ccn2)s1
InChIInChI=1S/C10H9ClN4OS/c1-2-8-14-15-10(17-8)13-9(16)7-5-6(11)3-4-12-7/h3-5H,2H2,1H3,(H,13,15,16)
InChIKeyHGOIQPFXVPWZRF-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.40
Rot. Bonds3

About 4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide

4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (PubChem CID 7802676) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is 4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
PubChem CID7802676
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(Cl)ccn2)s1
InChIInChI=1S/C10H9ClN4OS/c1-2-8-14-15-10(17-8)13-9(16)7-5-6(11)3-4-12-7/h3-5H,2H2,1H3,(H,13,15,16)
InChIKeyHGOIQPFXVPWZRF-UHFFFAOYSA-N
XLogP2.40
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (CID 7802676) is 4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is CCc1nnc(NC(=O)c2cc(Cl)ccn2)s1.
What is the InChIKey of 4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is HGOIQPFXVPWZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c1-2-8-14-15-10(17-8)13-9(16)7-5-6(11)3-4-12-7/h3-5H,2H2,1H3,(H,13,15,16).
What are the key properties of 4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 268.73 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 7802676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).