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

C10H19N3O2S2 — CID 63987838

IUPAC1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C10H19N3O2S2/c1-7(2)15-5-8(14)6-16-10-12-11-9(17-10)13(3)4/h7-8,14H,5-6H2,1-4H3
InChIKeyBMFMVIVICBAFER-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.48
Rot. Bonds7

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

1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol (PubChem CID 63987838) has the molecular formula C10H19N3O2S2 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol
PubChem CID63987838
Molecular FormulaC10H19N3O2S2
Molecular Weight277.42 g/mol
Exact Mass277.09
IUPAC Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C10H19N3O2S2/c1-7(2)15-5-8(14)6-16-10-12-11-9(17-10)13(3)4/h7-8,14H,5-6H2,1-4H3
InChIKeyBMFMVIVICBAFER-UHFFFAOYSA-N
XLogP1.48
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol (CID 63987838) is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CSc1nnc(N(C)C)s1.
What is the InChIKey of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is BMFMVIVICBAFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S2/c1-7(2)15-5-8(14)6-16-10-12-11-9(17-10)13(3)4/h7-8,14H,5-6H2,1-4H3.
What are the key properties of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol?
1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 277.42 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 63987838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).