5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C10H11N3S2 — CID 693296

IUPAC5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(CSc2nnc(N)s2)cc1
InChIInChI=1S/C10H11N3S2/c1-7-2-4-8(5-3-7)6-14-10-13-12-9(11)15-10/h2-5H,6H2,1H3,(H2,11,12)
InChIKeyXWCZGGYKJAEKML-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.72
Rot. Bonds3

About 5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 693296) has the molecular formula C10H11N3S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID693296
Molecular FormulaC10H11N3S2
Molecular Weight237.35 g/mol
Exact Mass237.04
IUPAC Name5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(CSc2nnc(N)s2)cc1
InChIInChI=1S/C10H11N3S2/c1-7-2-4-8(5-3-7)6-14-10-13-12-9(11)15-10/h2-5H,6H2,1H3,(H2,11,12)
InChIKeyXWCZGGYKJAEKML-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 693296) is 5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Cc1ccc(CSc2nnc(N)s2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XWCZGGYKJAEKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S2/c1-7-2-4-8(5-3-7)6-14-10-13-12-9(11)15-10/h2-5H,6H2,1H3,(H2,11,12).
What are the key properties of 5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 693296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).