3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol

C6H11N3OS2 — CID 66128335

IUPAC3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol
SMILESNc1snnc1CSCCCO
InChIInChI=1S/C6H11N3OS2/c7-6-5(8-9-12-6)4-11-3-1-2-10/h10H,1-4,7H2
InChIKeyYGIUXUHVNYETLR-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.74
Rot. Bonds5

About 3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol

3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol (PubChem CID 66128335) has the molecular formula C6H11N3OS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol
PubChem CID66128335
Molecular FormulaC6H11N3OS2
Molecular Weight205.31 g/mol
Exact Mass205.03
IUPAC Name3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol
SMILESNc1snnc1CSCCCO
InChIInChI=1S/C6H11N3OS2/c7-6-5(8-9-12-6)4-11-3-1-2-10/h10H,1-4,7H2
InChIKeyYGIUXUHVNYETLR-UHFFFAOYSA-N
XLogP0.74
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(5-aminothiadiazol-4-yl)methylsulfanyl]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

ethyl 2-[(5-aminothiadiazol-4-yl)methylsulfanyl]acetate
CID 62189308
2-[(5-hydrazinylthiadiazol-4-yl)methylsulfanyl]ethanol
CID 62252322
3-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]propan-1-ol
CID 66115863
4-(butylsulfanylmethyl)-5-chlorothiadiazole
CID 43408125
4-(phenylsulfanylmethyl)thiadiazol-5-amine
CID 62189604
4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiadiazol-5-amine
CID 115383644
4-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiadiazole-5-carboxamide
CID 103800680
4-[(2,5-difluorophenyl)sulfanylmethyl]thiadiazol-5-amine
CID 62188783
S-ethyl 5-aminothiadiazole-4-carbothioate
CID 117214879
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol
CID 66114761
3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol
CID 79232930
4-[(2-methylpropan-2-yl)oxymethyl]thiadiazol-5-amine
CID 62193056

Frequently Asked Questions

What is the IUPAC name of 3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of 3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol (CID 66128335) is 3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol is Nc1snnc1CSCCCO.
What is the InChIKey of 3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol?
The InChIKey is YGIUXUHVNYETLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS2/c7-6-5(8-9-12-6)4-11-3-1-2-10/h10H,1-4,7H2.
What are the key properties of 3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol?
3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol has a molecular weight of 205.31 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminothiadiazol-4-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 66128335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).