N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

C8H7N3O2S2 — CID 836941

IUPACN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCSc1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C8H7N3O2S2/c1-14-8-11-10-7(15-8)9-6(12)5-3-2-4-13-5/h2-4H,1H3,(H,9,10,12)
InChIKeyOEGYSMUYNKDGCN-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.11
Rot. Bonds3

About N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 836941) has the molecular formula C8H7N3O2S2 and a molecular weight of 241.30 g/mol. Its IUPAC name is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID836941
Molecular FormulaC8H7N3O2S2
Molecular Weight241.30 g/mol
Exact Mass241.00
IUPAC NameN-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCSc1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C8H7N3O2S2/c1-14-8-11-10-7(15-8)9-6(12)5-3-2-4-13-5/h2-4H,1H3,(H,9,10,12)
InChIKeyOEGYSMUYNKDGCN-UHFFFAOYSA-N
XLogP2.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.11
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-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 860502
N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 17397231
N-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide;hydrochloride
CID 171668669
2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 836558
4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4639958
N-[5-[(2R)-pentan-2-yl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 7322531
N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)furan-2-carboxamide
CID 25282897
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 176585430
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 7092391
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 796709
N-[5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 18561300

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 836941) is N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is CSc1nnc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is OEGYSMUYNKDGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S2/c1-14-8-11-10-7(15-8)9-6(12)5-3-2-4-13-5/h2-4H,1H3,(H,9,10,12).
What are the key properties of N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 241.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 836941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).