3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine

C12H14FN3S2 — CID 66070888

IUPAC3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(CSc2cccc(F)c2)ns1
InChIInChI=1S/C12H14FN3S2/c1-2-6-14-12-15-11(16-18-12)8-17-10-5-3-4-9(13)7-10/h3-5,7H,2,6,8H2,1H3,(H,14,15,16)
InChIKeyHETVFOUCRHNMOA-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.79
Rot. Bonds6

About 3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine

3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 66070888) has the molecular formula C12H14FN3S2 and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID66070888
Molecular FormulaC12H14FN3S2
Molecular Weight283.40 g/mol
Exact Mass283.06
IUPAC Name3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(CSc2cccc(F)c2)ns1
InChIInChI=1S/C12H14FN3S2/c1-2-6-14-12-15-11(16-18-12)8-17-10-5-3-4-9(13)7-10/h3-5,7H,2,6,8H2,1H3,(H,14,15,16)
InChIKeyHETVFOUCRHNMOA-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-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 3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine (CID 66070888) is 3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(CSc2cccc(F)c2)ns1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is HETVFOUCRHNMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S2/c1-2-6-14-12-15-11(16-18-12)8-17-10-5-3-4-9(13)7-10/h3-5,7H,2,6,8H2,1H3,(H,14,15,16).
What are the key properties of 3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine?
3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 283.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfanylmethyl]-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 66070888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).