3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol

C10H16N2O3S — CID 162881127

IUPAC3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol
SMILESOCC1CC(NCc2nccs2)C(O)C1O
InChIInChI=1S/C10H16N2O3S/c13-5-6-3-7(10(15)9(6)14)12-4-8-11-1-2-16-8/h1-2,6-7,9-10,12-15H,3-5H2
InChIKeyADOMAJDXOBXOMD-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.66
Rot. Bonds4

About 3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol

3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol (PubChem CID 162881127) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol
PubChem CID162881127
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol
SMILESOCC1CC(NCc2nccs2)C(O)C1O
InChIInChI=1S/C10H16N2O3S/c13-5-6-3-7(10(15)9(6)14)12-4-8-11-1-2-16-8/h1-2,6-7,9-10,12-15H,3-5H2
InChIKeyADOMAJDXOBXOMD-UHFFFAOYSA-N
XLogP-0.66
TPSA85.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol?
The IUPAC name of 3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol (CID 162881127) is 3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol.
What is the SMILES notation for 3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol?
The canonical SMILES for 3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol is OCC1CC(NCc2nccs2)C(O)C1O.
What is the InChIKey of 3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol?
The InChIKey is ADOMAJDXOBXOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c13-5-6-3-7(10(15)9(6)14)12-4-8-11-1-2-16-8/h1-2,6-7,9-10,12-15H,3-5H2.
What are the key properties of 3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol?
3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol has a molecular weight of 244.32 g/mol, XLogP of -0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-(1,3-thiazol-2-ylmethylamino)cyclopentane-1,2-diol is sourced from PubChem (CID 162881127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).