3-(thiadiazol-4-ylmethylamino)propan-1-ol

C6H11N3OS — CID 43664065

IUPAC3-(thiadiazol-4-ylmethylamino)propan-1-ol
SMILESOCCCNCc1csnn1
InChIInChI=1S/C6H11N3OS/c10-3-1-2-7-4-6-5-11-9-8-6/h5,7,10H,1-4H2
InChIKeyWWMPDDGWXWRRCH-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.01
Rot. Bonds5

About 3-(thiadiazol-4-ylmethylamino)propan-1-ol

3-(thiadiazol-4-ylmethylamino)propan-1-ol (PubChem CID 43664065) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-(thiadiazol-4-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name3-(thiadiazol-4-ylmethylamino)propan-1-ol
PubChem CID43664065
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name3-(thiadiazol-4-ylmethylamino)propan-1-ol
SMILESOCCCNCc1csnn1
InChIInChI=1S/C6H11N3OS/c10-3-1-2-7-4-6-5-11-9-8-6/h5,7,10H,1-4H2
InChIKeyWWMPDDGWXWRRCH-UHFFFAOYSA-N
XLogP0.01
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(thiadiazol-4-ylmethylamino)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

Related Compounds

1,1-Difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 103923463
2,2-Difluoro-3-(thiadiazol-4-ylmethylamino)propan-1-ol
CID 104862620
3-[Thiadiazol-4-ylmethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 115882732
N-(thiadiazol-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 115904722
1,1,1-Trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 115904995
3-fluoro-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 115908278
N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663782
N'-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 60888547
2-[Hydroxymethyl(thiadiazol-4-ylmethyl)amino]ethanol
CID 155019210
Propyl[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663780
N-(thiadiazol-4-ylmethyl)prop-2-en-1-amine
CID 43663785
N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 43663794

Frequently Asked Questions

What is the IUPAC name of 3-(thiadiazol-4-ylmethylamino)propan-1-ol?
The IUPAC name of 3-(thiadiazol-4-ylmethylamino)propan-1-ol (CID 43664065) is 3-(thiadiazol-4-ylmethylamino)propan-1-ol.
What is the SMILES notation for 3-(thiadiazol-4-ylmethylamino)propan-1-ol?
The canonical SMILES for 3-(thiadiazol-4-ylmethylamino)propan-1-ol is OCCCNCc1csnn1.
What is the InChIKey of 3-(thiadiazol-4-ylmethylamino)propan-1-ol?
The InChIKey is WWMPDDGWXWRRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c10-3-1-2-7-4-6-5-11-9-8-6/h5,7,10H,1-4H2.
What are the key properties of 3-(thiadiazol-4-ylmethylamino)propan-1-ol?
3-(thiadiazol-4-ylmethylamino)propan-1-ol has a molecular weight of 173.24 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiadiazol-4-ylmethylamino)propan-1-ol is sourced from PubChem (CID 43664065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).