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

C10H7Cl2N3OS2 — CID 2994551

IUPAC3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCSc1nsc(NC(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H7Cl2N3OS2/c1-17-10-14-9(18-15-10)13-8(16)5-2-3-6(11)7(12)4-5/h2-4H,1H3,(H,13,14,15,16)
InChIKeyXTGNIPKQFWWVEE-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.82
Rot. Bonds3

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

3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide (PubChem CID 2994551) has the molecular formula C10H7Cl2N3OS2 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
PubChem CID2994551
Molecular FormulaC10H7Cl2N3OS2
Molecular Weight320.23 g/mol
Exact Mass318.94
IUPAC Name3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
SMILESCSc1nsc(NC(=O)c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C10H7Cl2N3OS2/c1-17-10-14-9(18-15-10)13-8(16)5-2-3-6(11)7(12)4-5/h2-4H,1H3,(H,13,14,15,16)
InChIKeyXTGNIPKQFWWVEE-UHFFFAOYSA-N
XLogP3.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide
CID 894653
1-(4-chlorophenyl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethanone
CID 110825355
2-methyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)propanamide
CID 130671631
1-(4-fluorophenyl)-3-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)urea
CID 3765876
2-[(3,4-dichlorobenzoyl)amino]-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 46113781
3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide
CID 173164167
3,4-dichloro-N-(4-chloro-5-cyano-1,3-thiazol-2-yl)benzamide
CID 3781229
1-butyl-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-6-oxopyridazine-3-carboxamide
CID 2456827
N-[3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-oxopropyl]-4-nitrobenzamide
CID 4842437
4-methylsulfanyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)benzamide
CID 100669326
3,4-dichloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 735079
3,4-dichloro-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1077804

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide (CID 2994551) is 3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide is CSc1nsc(NC(=O)c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide?
The InChIKey is XTGNIPKQFWWVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3OS2/c1-17-10-14-9(18-15-10)13-8(16)5-2-3-6(11)7(12)4-5/h2-4H,1H3,(H,13,14,15,16).
What are the key properties of 3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide?
3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide has a molecular weight of 320.23 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide is sourced from PubChem (CID 2994551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).