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

C11H21N3O3S2 — CID 106992478

IUPAC1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C11H21N3O3S2/c1-8(5-16-4)17-6-9(15)7-18-11-13-12-10(19-11)14(2)3/h8-9,15H,5-7H2,1-4H3
InChIKeyHVTIJHDDSCKPBS-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.11
Rot. Bonds9

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

1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106992478) has the molecular formula C11H21N3O3S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106992478
Molecular FormulaC11H21N3O3S2
Molecular Weight307.44 g/mol
Exact Mass307.10
IUPAC Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C11H21N3O3S2/c1-8(5-16-4)17-6-9(15)7-18-11-13-12-10(19-11)14(2)3/h8-9,15H,5-7H2,1-4H3
InChIKeyHVTIJHDDSCKPBS-UHFFFAOYSA-N
XLogP1.11
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106992478) is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CSc1nnc(N(C)C)s1.
What is the InChIKey of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is HVTIJHDDSCKPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S2/c1-8(5-16-4)17-6-9(15)7-18-11-13-12-10(19-11)14(2)3/h8-9,15H,5-7H2,1-4H3.
What are the key properties of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 307.44 g/mol, XLogP of 1.11, 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-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106992478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).