2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

C10H8ClN3OS2 — CID 836558

IUPAC2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCSc1nnc(NC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C10H8ClN3OS2/c1-16-10-14-13-9(17-10)12-8(15)6-4-2-3-5-7(6)11/h2-5H,1H3,(H,12,13,15)
InChIKeyFWAZGWOZLNZLTL-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.17
Rot. Bonds3

About 2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 836558) has the molecular formula C10H8ClN3OS2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID836558
Molecular FormulaC10H8ClN3OS2
Molecular Weight285.78 g/mol
Exact Mass284.98
IUPAC Name2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCSc1nnc(NC(=O)c2ccccc2Cl)s1
InChIInChI=1S/C10H8ClN3OS2/c1-16-10-14-13-9(17-10)12-8(15)6-4-2-3-5-7(6)11/h2-5H,1H3,(H,12,13,15)
InChIKeyFWAZGWOZLNZLTL-UHFFFAOYSA-N
XLogP3.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-chloro-N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 18864326
2-chloro-N-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 23889081
1-N,2-N-bis(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzene-1,2-dicarboxamide
CID 3636543
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 82176351
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 7092391
2-chloro-N-[5-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 4225827
2-chloro-N-[5-[(2-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1315651
N-[5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 1315525
4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4639958
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
2-[benzyl(methylsulfonyl)amino]-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100568901
2-(2-chlorophenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 133160961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide (CID 836558) is 2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is CSc1nnc(NC(=O)c2ccccc2Cl)s1.
What is the InChIKey of 2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FWAZGWOZLNZLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS2/c1-16-10-14-13-9(17-10)12-8(15)6-4-2-3-5-7(6)11/h2-5H,1H3,(H,12,13,15).
What are the key properties of 2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide?
2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 285.78 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 836558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).