2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol

C11H18N2OS — CID 82424687

IUPAC2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(CN2CCCC2)s1
InChIInChI=1S/C11H18N2OS/c1-11(2,14)9-7-12-10(15-9)8-13-5-3-4-6-13/h7,14H,3-6,8H2,1-2H3
InChIKeyGZMIILMYOZEJTI-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.97
Rot. Bonds3

About 2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol

2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82424687) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82424687
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(CN2CCCC2)s1
InChIInChI=1S/C11H18N2OS/c1-11(2,14)9-7-12-10(15-9)8-13-5-3-4-6-13/h7,14H,3-6,8H2,1-2H3
InChIKeyGZMIILMYOZEJTI-UHFFFAOYSA-N
XLogP1.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol (CID 82424687) is 2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol is CC(C)(O)c1cnc(CN2CCCC2)s1.
What is the InChIKey of 2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is GZMIILMYOZEJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2,14)9-7-12-10(15-9)8-13-5-3-4-6-13/h7,14H,3-6,8H2,1-2H3.
What are the key properties of 2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 226.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82424687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).