1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol

C15H18N2OS — CID 130804786

IUPAC1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
SMILESCC1N(Cc2ccccc2)CCC1(O)c1ccsn1
InChIInChI=1S/C15H18N2OS/c1-12-15(18,14-7-10-19-16-14)8-9-17(12)11-13-5-3-2-4-6-13/h2-7,10,12,18H,8-9,11H2,1H3
InChIKeyFMPTXLFMMWFQTM-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.63
Rot. Bonds3

About 1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol

1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol (PubChem CID 130804786) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
PubChem CID130804786
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
SMILESCC1N(Cc2ccccc2)CCC1(O)c1ccsn1
InChIInChI=1S/C15H18N2OS/c1-12-15(18,14-7-10-19-16-14)8-9-17(12)11-13-5-3-2-4-6-13/h2-7,10,12,18H,8-9,11H2,1H3
InChIKeyFMPTXLFMMWFQTM-UHFFFAOYSA-N
XLogP2.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 130604880
1-Benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol
CID 130627545
1-Benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
CID 131084399
1-Propyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 131101386

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol (CID 130804786) is 1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol is CC1N(Cc2ccccc2)CCC1(O)c1ccsn1.
What is the InChIKey of 1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
The InChIKey is FMPTXLFMMWFQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-12-15(18,14-7-10-19-16-14)8-9-17(12)11-13-5-3-2-4-6-13/h2-7,10,12,18H,8-9,11H2,1H3.
What are the key properties of 1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol has a molecular weight of 274.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 130804786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).