3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol

C8H13N3O2S — CID 103923799

IUPAC3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol
SMILESOC1(CNCc2csnn2)CCOC1
InChIInChI=1S/C8H13N3O2S/c12-8(1-2-13-6-8)5-9-3-7-4-14-11-10-7/h4,9,12H,1-3,5-6H2
InChIKeyXNERKKLCEOTGBL-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.22
Rot. Bonds4

About 3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol

3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol (PubChem CID 103923799) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol
PubChem CID103923799
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol
SMILESOC1(CNCc2csnn2)CCOC1
InChIInChI=1S/C8H13N3O2S/c12-8(1-2-13-6-8)5-9-3-7-4-14-11-10-7/h4,9,12H,1-3,5-6H2
InChIKeyXNERKKLCEOTGBL-UHFFFAOYSA-N
XLogP-0.22
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(thiadiazol-4-ylmethylamino)methyl]cyclobutan-1-ol
CID 115907322
3-(thiadiazol-4-ylmethyl)oxolan-3-ol
CID 130550157
3-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 115765948
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
CID 115765976
N-[(1-propylcyclopropyl)methyl]-1-(thiadiazol-4-yl)methanamine
CID 115908300
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480
3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol
CID 114143438
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine
CID 115908125
4-[[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]methyl]oxan-4-ol
CID 81131023
3-[[(6-methyl-3-pyridinyl)methylamino]methyl]oxolan-3-ol
CID 104756694
3-[[(3-methylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 103848451

Frequently Asked Questions

What is the IUPAC name of 3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol (CID 103923799) is 3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol is OC1(CNCc2csnn2)CCOC1.
What is the InChIKey of 3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol?
The InChIKey is XNERKKLCEOTGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c12-8(1-2-13-6-8)5-9-3-7-4-14-11-10-7/h4,9,12H,1-3,5-6H2.
What are the key properties of 3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol?
3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol has a molecular weight of 215.28 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(thiadiazol-4-ylmethylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 103923799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).