5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine

C10H10BrN3S2 — CID 936718

IUPAC5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CSCc2cccc(Br)c2)s1
InChIInChI=1S/C10H10BrN3S2/c11-8-3-1-2-7(4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14)
InChIKeyQKNRZGWBINMVHG-UHFFFAOYSA-N
MW316.25 g/mol
LogP3.32
Rot. Bonds4

About 5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine

5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 936718) has the molecular formula C10H10BrN3S2 and a molecular weight of 316.25 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine
PubChem CID936718
Molecular FormulaC10H10BrN3S2
Molecular Weight316.25 g/mol
Exact Mass314.95
IUPAC Name5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CSCc2cccc(Br)c2)s1
InChIInChI=1S/C10H10BrN3S2/c11-8-3-1-2-7(4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14)
InChIKeyQKNRZGWBINMVHG-UHFFFAOYSA-N
XLogP3.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3-bromophenyl)methylsulfanylmethyl]-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-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine (CID 936718) is 5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CSCc2cccc(Br)c2)s1.
What is the InChIKey of 5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is QKNRZGWBINMVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S2/c11-8-3-1-2-7(4-8)5-15-6-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14).
What are the key properties of 5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine?
5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 316.25 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 936718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).