3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol

C12H15N3OS — CID 75501551

IUPAC3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol
SMILESOCCCc1cccc(NCc2csnn2)c1
InChIInChI=1S/C12H15N3OS/c16-6-2-4-10-3-1-5-11(7-10)13-8-12-9-17-15-14-12/h1,3,5,7,9,13,16H,2,4,6,8H2
InChIKeyQJCUTFAQMHZZDA-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.08
Rot. Bonds6

About 3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol

3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol (PubChem CID 75501551) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol
PubChem CID75501551
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol
SMILESOCCCc1cccc(NCc2csnn2)c1
InChIInChI=1S/C12H15N3OS/c16-6-2-4-10-3-1-5-11(7-10)13-8-12-9-17-15-14-12/h1,3,5,7,9,13,16H,2,4,6,8H2
InChIKeyQJCUTFAQMHZZDA-UHFFFAOYSA-N
XLogP2.08
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol 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-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol?
The IUPAC name of 3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol (CID 75501551) is 3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol is OCCCc1cccc(NCc2csnn2)c1.
What is the InChIKey of 3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol?
The InChIKey is QJCUTFAQMHZZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c16-6-2-4-10-3-1-5-11(7-10)13-8-12-9-17-15-14-12/h1,3,5,7,9,13,16H,2,4,6,8H2.
What are the key properties of 3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol?
3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol has a molecular weight of 249.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(thiadiazol-4-ylmethylamino)phenyl]propan-1-ol is sourced from PubChem (CID 75501551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).