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

C10H10N4OS2 — CID 2121806

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESCCSc1nnc(NC(=O)c2ccccn2)s1
InChIInChI=1S/C10H10N4OS2/c1-2-16-10-14-13-9(17-10)12-8(15)7-5-3-4-6-11-7/h3-6H,2H2,1H3,(H,12,13,15)
InChIKeyUMDFROBIOXQDLW-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.30
Rot. Bonds4

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (PubChem CID 2121806) 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-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
PubChem CID2121806
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
SMILESCCSc1nnc(NC(=O)c2ccccn2)s1
InChIInChI=1S/C10H10N4OS2/c1-2-16-10-14-13-9(17-10)12-8(15)7-5-3-4-6-11-7/h3-6H,2H2,1H3,(H,12,13,15)
InChIKeyUMDFROBIOXQDLW-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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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 2463754
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 746692
Pyridine-2-carboxylic acid thiazol-2-ylamide
CID 1070711
N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 651392
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 654941
N2,N6-bis(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide
CID 659567
Pyridine-2-carboxylic acid methyl-(5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 1447072
N-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)picolinamide
CID 2114403
N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 2114858
Pyridine-2-carboxylic acid (5-mercapto-[1,3,4]thiadiazol-2-yl)-amide
CID 11514219
4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 7802676
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
CID 16292846

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide (CID 2121806) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide is CCSc1nnc(NC(=O)c2ccccn2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is UMDFROBIOXQDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c1-2-16-10-14-13-9(17-10)12-8(15)7-5-3-4-6-11-7/h3-6H,2H2,1H3,(H,12,13,15).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-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-2-carboxamide is sourced from PubChem (CID 2121806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).