[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol

C10H16N2OS — CID 102788244

IUPAC[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cncs2)C1CO
InChIInChI=1S/C10H16N2OS/c1-8-2-3-12(10(8)6-13)5-9-4-11-7-14-9/h4,7-8,10,13H,2-3,5-6H2,1H3
InChIKeyRORHYEBQRWUQDD-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.35
Rot. Bonds3

About [3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol

[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 102788244) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is [3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID102788244
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cncs2)C1CO
InChIInChI=1S/C10H16N2OS/c1-8-2-3-12(10(8)6-13)5-9-4-11-7-14-9/h4,7-8,10,13H,2-3,5-6H2,1H3
InChIKeyRORHYEBQRWUQDD-UHFFFAOYSA-N
XLogP1.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol (CID 102788244) is [3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol is CC1CCN(Cc2cncs2)C1CO.
What is the InChIKey of [3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is RORHYEBQRWUQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-2-3-12(10(8)6-13)5-9-4-11-7-14-9/h4,7-8,10,13H,2-3,5-6H2,1H3.
What are the key properties of [3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 212.32 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).