5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine

C12H15N3S2 — CID 80613738

IUPAC5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1ccc(SCc2nnc(N)s2)cc1
InChIInChI=1S/C12H15N3S2/c1-8(2)9-3-5-10(6-4-9)16-7-11-14-15-12(13)17-11/h3-6,8H,7H2,1-2H3,(H2,13,15)
InChIKeyMTBSUSUZXKTMEZ-UHFFFAOYSA-N
MW265.41 g/mol
LogP3.54
Rot. Bonds4

About 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine

5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80613738) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
PubChem CID80613738
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC Name5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1ccc(SCc2nnc(N)s2)cc1
InChIInChI=1S/C12H15N3S2/c1-8(2)9-3-5-10(6-4-9)16-7-11-14-15-12(13)17-11/h3-6,8H,7H2,1-2H3,(H2,13,15)
InChIKeyMTBSUSUZXKTMEZ-UHFFFAOYSA-N
XLogP3.54
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine (CID 80613738) is 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine is CC(C)c1ccc(SCc2nnc(N)s2)cc1.
What is the InChIKey of 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MTBSUSUZXKTMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-8(2)9-3-5-10(6-4-9)16-7-11-14-15-12(13)17-11/h3-6,8H,7H2,1-2H3,(H2,13,15).
What are the key properties of 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 265.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80613738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).