3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol

C9H14N2O2S — CID 130700479

IUPAC3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
SMILESOCC1(O)CCN(Cc2cncs2)C1
InChIInChI=1S/C9H14N2O2S/c12-6-9(13)1-2-11(5-9)4-8-3-10-7-14-8/h3,7,12-13H,1-2,4-6H2
InChIKeyMKANMWSIYIPOJP-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.07
Rot. Bonds3

About 3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol

3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol (PubChem CID 130700479) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
PubChem CID130700479
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol
SMILESOCC1(O)CCN(Cc2cncs2)C1
InChIInChI=1S/C9H14N2O2S/c12-6-9(13)1-2-11(5-9)4-8-3-10-7-14-8/h3,7,12-13H,1-2,4-6H2
InChIKeyMKANMWSIYIPOJP-UHFFFAOYSA-N
XLogP0.07
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol (CID 130700479) is 3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol is OCC1(O)CCN(Cc2cncs2)C1.
What is the InChIKey of 3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol?
The InChIKey is MKANMWSIYIPOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c12-6-9(13)1-2-11(5-9)4-8-3-10-7-14-8/h3,7,12-13H,1-2,4-6H2.
What are the key properties of 3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol?
3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol has a molecular weight of 214.29 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 130700479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).