N-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine

C9H8ClN3S2 — CID 8675423

IUPACN-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCSc1nnc(Nc2cccc(Cl)c2)s1
InChIInChI=1S/C9H8ClN3S2/c1-14-9-13-12-8(15-9)11-7-4-2-3-6(10)5-7/h2-5H,1H3,(H,11,12)
InChIKeyZSXMJOVWGSPSHT-UHFFFAOYSA-N
MW257.77 g/mol
LogP3.66
Rot. Bonds3

About N-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine

N-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 8675423) has the molecular formula C9H8ClN3S2 and a molecular weight of 257.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID8675423
Molecular FormulaC9H8ClN3S2
Molecular Weight257.77 g/mol
Exact Mass256.98
IUPAC NameN-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCSc1nnc(Nc2cccc(Cl)c2)s1
InChIInChI=1S/C9H8ClN3S2/c1-14-9-13-12-8(15-9)11-7-4-2-3-6(10)5-7/h2-5H,1H3,(H,11,12)
InChIKeyZSXMJOVWGSPSHT-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine (CID 8675423) is N-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine is CSc1nnc(Nc2cccc(Cl)c2)s1.
What is the InChIKey of N-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZSXMJOVWGSPSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S2/c1-14-9-13-12-8(15-9)11-7-4-2-3-6(10)5-7/h2-5H,1H3,(H,11,12).
What are the key properties of N-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
N-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 257.77 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 8675423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).