1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol

C10H19N3O3S2 — CID 106992477

IUPAC1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C10H19N3O3S2/c1-13(2)9-11-12-10(18-9)17-7-8(14)6-16-5-4-15-3/h8,14H,4-7H2,1-3H3
InChIKeyWHDHZPPXZRAMPC-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.72
Rot. Bonds9

About 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol

1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106992477) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106992477
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C10H19N3O3S2/c1-13(2)9-11-12-10(18-9)17-7-8(14)6-16-5-4-15-3/h8,14H,4-7H2,1-3H3
InChIKeyWHDHZPPXZRAMPC-UHFFFAOYSA-N
XLogP0.72
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-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 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol (CID 106992477) is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CSc1nnc(N(C)C)s1.
What is the InChIKey of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is WHDHZPPXZRAMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-13(2)9-11-12-10(18-9)17-7-8(14)6-16-5-4-15-3/h8,14H,4-7H2,1-3H3.
What are the key properties of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol?
1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 0.72, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106992477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).