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

C10H11N3S2 — CID 1088127

IUPAC3-[(2-methylphenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine
SMILESCc1ccccc1CSc1nsc(N)n1
InChIInChI=1S/C10H11N3S2/c1-7-4-2-3-5-8(7)6-14-10-12-9(11)15-13-10/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyNKTFYVOUPMNLNC-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.72
Rot. Bonds3

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

3-[(2-methylphenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine (PubChem CID 1088127) has the molecular formula C10H11N3S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine
PubChem CID1088127
Molecular FormulaC10H11N3S2
Molecular Weight237.35 g/mol
Exact Mass237.04
IUPAC Name3-[(2-methylphenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine
SMILESCc1ccccc1CSc1nsc(N)n1
InChIInChI=1S/C10H11N3S2/c1-7-4-2-3-5-8(7)6-14-10-12-9(11)15-13-10/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyNKTFYVOUPMNLNC-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 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine (CID 1088127) is 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine is Cc1ccccc1CSc1nsc(N)n1.
What is the InChIKey of 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is NKTFYVOUPMNLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S2/c1-7-4-2-3-5-8(7)6-14-10-12-9(11)15-13-10/h2-5H,6H2,1H3,(H2,11,12,13).
What are the key properties of 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine?
3-[(2-methylphenyl)methylsulfanyl]-1,2,4-thiadiazol-5-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 3-[(2-methylphenyl)methylsulfanyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 1088127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).