1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol

C10H16N2OS — CID 81467728

IUPAC1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
SMILESCC1CC(O)(Cc2nccs2)CN1C
InChIInChI=1S/C10H16N2OS/c1-8-5-10(13,7-12(8)2)6-9-11-3-4-14-9/h3-4,8,13H,5-7H2,1-2H3
InChIKeyJALCHFYJQGAOPI-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.14
Rot. Bonds2

About 1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol

1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 81467728) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
PubChem CID81467728
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
SMILESCC1CC(O)(Cc2nccs2)CN1C
InChIInChI=1S/C10H16N2OS/c1-8-5-10(13,7-12(8)2)6-9-11-3-4-14-9/h3-4,8,13H,5-7H2,1-2H3
InChIKeyJALCHFYJQGAOPI-UHFFFAOYSA-N
XLogP1.14
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol (CID 81467728) is 1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol is CC1CC(O)(Cc2nccs2)CN1C.
What is the InChIKey of 1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is JALCHFYJQGAOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-5-10(13,7-12(8)2)6-9-11-3-4-14-9/h3-4,8,13H,5-7H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol?
1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 212.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 81467728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).