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

C9H8ClN3S — CID 58441799

IUPAC3-(2-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(-c2ccccc2Cl)ns1
InChIInChI=1S/C9H8ClN3S/c1-11-9-12-8(13-14-9)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,12,13)
InChIKeyPIPMPBPMWLSUAT-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.90
Rot. Bonds2

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

3-(2-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 58441799) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID58441799
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name3-(2-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(-c2ccccc2Cl)ns1
InChIInChI=1S/C9H8ClN3S/c1-11-9-12-8(13-14-9)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,12,13)
InChIKeyPIPMPBPMWLSUAT-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 58441799) is 3-(2-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine is CNc1nc(-c2ccccc2Cl)ns1.
What is the InChIKey of 3-(2-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is PIPMPBPMWLSUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c1-11-9-12-8(13-14-9)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,11,12,13).
What are the key properties of 3-(2-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine?
3-(2-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 225.70 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 58441799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).