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

C10H10N4OS2 — CID 746692

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCSc1nnc(NC(=O)c2cccnc2)s1
InChIInChI=1S/C10H10N4OS2/c1-2-16-10-14-13-9(17-10)12-8(15)7-4-3-5-11-6-7/h3-6H,2H2,1H3,(H,12,13,15)
InChIKeyUWCRIINGIOVBTL-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.30
Rot. Bonds4

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 746692) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID746692
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCSc1nnc(NC(=O)c2cccnc2)s1
InChIInChI=1S/C10H10N4OS2/c1-2-16-10-14-13-9(17-10)12-8(15)7-4-3-5-11-6-7/h3-6H,2H2,1H3,(H,12,13,15)
InChIKeyUWCRIINGIOVBTL-UHFFFAOYSA-N
XLogP2.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 746692) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCSc1nnc(NC(=O)c2cccnc2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is UWCRIINGIOVBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c1-2-16-10-14-13-9(17-10)12-8(15)7-4-3-5-11-6-7/h3-6H,2H2,1H3,(H,12,13,15).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 266.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 746692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).