3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine

C15H12ClN3S2 — CID 2973976

IUPAC3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(SC(c2ccccc2)c2ccc(Cl)cc2)ns1
InChIInChI=1S/C15H12ClN3S2/c16-12-8-6-11(7-9-12)13(10-4-2-1-3-5-10)20-15-18-14(17)21-19-15/h1-9,13H,(H2,17,18,19)
InChIKeyIRYHHEKUUCURIC-UHFFFAOYSA-N
MW333.87 g/mol
LogP4.66
Rot. Bonds4

About 3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine

3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine (PubChem CID 2973976) has the molecular formula C15H12ClN3S2 and a molecular weight of 333.87 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine
PubChem CID2973976
Molecular FormulaC15H12ClN3S2
Molecular Weight333.87 g/mol
Exact Mass333.02
IUPAC Name3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(SC(c2ccccc2)c2ccc(Cl)cc2)ns1
InChIInChI=1S/C15H12ClN3S2/c16-12-8-6-11(7-9-12)13(10-4-2-1-3-5-10)20-15-18-14(17)21-19-15/h1-9,13H,(H2,17,18,19)
InChIKeyIRYHHEKUUCURIC-UHFFFAOYSA-N
XLogP4.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.87
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine (CID 2973976) is 3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine is Nc1nc(SC(c2ccccc2)c2ccc(Cl)cc2)ns1.
What is the InChIKey of 3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine?
The InChIKey is IRYHHEKUUCURIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3S2/c16-12-8-6-11(7-9-12)13(10-4-2-1-3-5-10)20-15-18-14(17)21-19-15/h1-9,13H,(H2,17,18,19).
What are the key properties of 3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine?
3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine has a molecular weight of 333.87 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-phenylmethyl]sulfanyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 2973976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).