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

C9H9N3OS3 — CID 871907

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCSc1nnc(NC(=O)c2cccs2)s1
InChIInChI=1S/C9H9N3OS3/c1-2-14-9-12-11-8(16-9)10-7(13)6-4-3-5-15-6/h3-5H,2H2,1H3,(H,10,11,13)
InChIKeyIIDDJVFVEVKMJN-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.96
Rot. Bonds4

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 871907) has the molecular formula C9H9N3OS3 and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID871907
Molecular FormulaC9H9N3OS3
Molecular Weight271.39 g/mol
Exact Mass270.99
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCSc1nnc(NC(=O)c2cccs2)s1
InChIInChI=1S/C9H9N3OS3/c1-2-14-9-12-11-8(16-9)10-7(13)6-4-3-5-15-6/h3-5H,2H2,1H3,(H,10,11,13)
InChIKeyIIDDJVFVEVKMJN-UHFFFAOYSA-N
XLogP2.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.96
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)thiophene-2-carboxamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 871907) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is CCSc1nnc(NC(=O)c2cccs2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is IIDDJVFVEVKMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS3/c1-2-14-9-12-11-8(16-9)10-7(13)6-4-3-5-15-6/h3-5H,2H2,1H3,(H,10,11,13).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 271.39 g/mol, XLogP of 2.96, 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)thiophene-2-carboxamide is sourced from PubChem (CID 871907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).