4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one

C8H12N2O3S — CID 106380919

IUPAC4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2COCC2O)cs1
InChIInChI=1S/C8H12N2O3S/c11-7-3-13-2-6(7)9-1-5-4-14-8(12)10-5/h4,6-7,9,11H,1-3H2,(H,10,12)
InChIKeyHMIRZBQJJGBXIB-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.71
Rot. Bonds3

About 4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380919) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380919
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2COCC2O)cs1
InChIInChI=1S/C8H12N2O3S/c11-7-3-13-2-6(7)9-1-5-4-14-8(12)10-5/h4,6-7,9,11H,1-3H2,(H,10,12)
InChIKeyHMIRZBQJJGBXIB-UHFFFAOYSA-N
XLogP-0.71
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380919) is 4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2COCC2O)cs1.
What is the InChIKey of 4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is HMIRZBQJJGBXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c11-7-3-13-2-6(7)9-1-5-4-14-8(12)10-5/h4,6-7,9,11H,1-3H2,(H,10,12).
What are the key properties of 4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 216.26 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxyoxolan-3-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).