3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

C12H10N4OS2 — CID 2635787

IUPAC3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCSc1nnc(NC(=O)c2cccc(C#N)c2)s1
InChIInChI=1S/C12H10N4OS2/c1-2-18-12-16-15-11(19-12)14-10(17)9-5-3-4-8(6-9)7-13/h3-6H,2H2,1H3,(H,14,15,17)
InChIKeyHGNIXOYKSJGMQG-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.77
Rot. Bonds4

About 3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2635787) has the molecular formula C12H10N4OS2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2635787
Molecular FormulaC12H10N4OS2
Molecular Weight290.37 g/mol
Exact Mass290.03
IUPAC Name3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCSc1nnc(NC(=O)c2cccc(C#N)c2)s1
InChIInChI=1S/C12H10N4OS2/c1-2-18-12-16-15-11(19-12)14-10(17)9-5-3-4-8(6-9)7-13/h3-6H,2H2,1H3,(H,14,15,17)
InChIKeyHGNIXOYKSJGMQG-UHFFFAOYSA-N
XLogP2.77
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.77
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'}

Analyze 3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-[(3-cyanobenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283574
3-cyano-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8697306
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 872286
N-[5-[2-(3-cyanophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 42667060
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 741744
N-(5-amino-1,3,4-thiadiazol-2-yl)-3-cyanobenzamide
CID 79512579
3-bromo-N-[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 23857070
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide
CID 2885797
1-N,2-N-bis(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzene-1,2-dicarboxamide
CID 3636543
N-(3-cyanophenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2660679
3-[(2-chlorophenyl)methoxy]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100603324
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
CID 2169611

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2635787) is 3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is CCSc1nnc(NC(=O)c2cccc(C#N)c2)s1.
What is the InChIKey of 3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HGNIXOYKSJGMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS2/c1-2-18-12-16-15-11(19-12)14-10(17)9-5-3-4-8(6-9)7-13/h3-6H,2H2,1H3,(H,14,15,17).
What are the key properties of 3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 290.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2635787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).