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

C10H9ClN4OS2 — CID 1221234

IUPAC2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCSc1nnc(NC(=O)c2cccnc2Cl)s1
InChIInChI=1S/C10H9ClN4OS2/c1-2-17-10-15-14-9(18-10)13-8(16)6-4-3-5-12-7(6)11/h3-5H,2H2,1H3,(H,13,14,16)
InChIKeyQTURIKLYKRDXFN-UHFFFAOYSA-N
MW300.80 g/mol
LogP2.95
Rot. Bonds4

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

2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 1221234) has the molecular formula C10H9ClN4OS2 and a molecular weight of 300.80 g/mol. Its IUPAC name is 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID1221234
Molecular FormulaC10H9ClN4OS2
Molecular Weight300.80 g/mol
Exact Mass299.99
IUPAC Name2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCSc1nnc(NC(=O)c2cccnc2Cl)s1
InChIInChI=1S/C10H9ClN4OS2/c1-2-17-10-15-14-9(18-10)13-8(16)6-4-3-5-12-7(6)11/h3-5H,2H2,1H3,(H,13,14,16)
InChIKeyQTURIKLYKRDXFN-UHFFFAOYSA-N
XLogP2.95
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 1221234) is 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCSc1nnc(NC(=O)c2cccnc2Cl)s1.
What is the InChIKey of 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is QTURIKLYKRDXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS2/c1-2-17-10-15-14-9(18-10)13-8(16)6-4-3-5-12-7(6)11/h3-5H,2H2,1H3,(H,13,14,16).
What are the key properties of 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 300.80 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 1221234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).