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

C7H13N3OS2 — CID 63736609

IUPAC1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
SMILESCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C7H13N3OS2/c1-5(11)4-12-7-9-8-6(13-7)10(2)3/h5,11H,4H2,1-3H3
InChIKeyFIQKEESGQNYVLC-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.08
Rot. Bonds4

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

1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol (PubChem CID 63736609) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
PubChem CID63736609
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
SMILESCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C7H13N3OS2/c1-5(11)4-12-7-9-8-6(13-7)10(2)3/h5,11H,4H2,1-3H3
InChIKeyFIQKEESGQNYVLC-UHFFFAOYSA-N
XLogP1.08
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol (CID 63736609) is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol.
What is the SMILES notation for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The canonical SMILES for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol is CC(O)CSc1nnc(N(C)C)s1.
What is the InChIKey of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The InChIKey is FIQKEESGQNYVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-5(11)4-12-7-9-8-6(13-7)10(2)3/h5,11H,4H2,1-3H3.
What are the key properties of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol is sourced from PubChem (CID 63736609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).