3-(thiadiazol-4-ylmethyl)oxolan-3-ol

C7H10N2O2S — CID 130550157

IUPAC3-(thiadiazol-4-ylmethyl)oxolan-3-ol
SMILESOC1(Cc2csnn2)CCOC1
InChIInChI=1S/C7H10N2O2S/c10-7(1-2-11-5-7)3-6-4-12-9-8-6/h4,10H,1-3,5H2
InChIKeyJQODKOBLKMLORD-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.23
Rot. Bonds2

About 3-(thiadiazol-4-ylmethyl)oxolan-3-ol

3-(thiadiazol-4-ylmethyl)oxolan-3-ol (PubChem CID 130550157) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-(thiadiazol-4-ylmethyl)oxolan-3-ol.

Molecular Properties

Compound Name3-(thiadiazol-4-ylmethyl)oxolan-3-ol
PubChem CID130550157
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-(thiadiazol-4-ylmethyl)oxolan-3-ol
SMILESOC1(Cc2csnn2)CCOC1
InChIInChI=1S/C7H10N2O2S/c10-7(1-2-11-5-7)3-6-4-12-9-8-6/h4,10H,1-3,5H2
InChIKeyJQODKOBLKMLORD-UHFFFAOYSA-N
XLogP0.23
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol
CID 103923799
3-(1,3-thiazol-5-ylmethyl)oxolan-3-ol
CID 112641806
1-(4-aminooxan-4-yl)-2-(thiadiazol-4-yl)ethanone
CID 130550562
3-benzyloxolan-3-ol
CID 63332039
3-[(5-chlorothiophen-2-yl)methyl]oxolan-3-ol
CID 65146101
1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 115907322
3-[(3,4-dichlorophenyl)methyl]oxolan-3-ol
CID 65145994
3-[(2,6-dichlorophenyl)methyl]oxolan-3-ol
CID 65145520
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 136521180
4-[(1-methyltriazol-4-yl)methyl]oxan-4-ol
CID 107045763
3-[(4-bromothiophen-2-yl)methyl]oxan-3-ol
CID 65149057
(3S)-3-(aminomethyl)oxolan-3-ol
CID 95305956

Frequently Asked Questions

What is the IUPAC name of 3-(thiadiazol-4-ylmethyl)oxolan-3-ol?
The IUPAC name of 3-(thiadiazol-4-ylmethyl)oxolan-3-ol (CID 130550157) is 3-(thiadiazol-4-ylmethyl)oxolan-3-ol.
What is the SMILES notation for 3-(thiadiazol-4-ylmethyl)oxolan-3-ol?
The canonical SMILES for 3-(thiadiazol-4-ylmethyl)oxolan-3-ol is OC1(Cc2csnn2)CCOC1.
What is the InChIKey of 3-(thiadiazol-4-ylmethyl)oxolan-3-ol?
The InChIKey is JQODKOBLKMLORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c10-7(1-2-11-5-7)3-6-4-12-9-8-6/h4,10H,1-3,5H2.
What are the key properties of 3-(thiadiazol-4-ylmethyl)oxolan-3-ol?
3-(thiadiazol-4-ylmethyl)oxolan-3-ol has a molecular weight of 186.24 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiadiazol-4-ylmethyl)oxolan-3-ol is sourced from PubChem (CID 130550157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).