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

C14H16N2OS — CID 130604880

IUPAC1-benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
SMILESOC1(c2ccsn2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H16N2OS/c17-14(13-6-9-18-15-13)7-8-16(11-14)10-12-4-2-1-3-5-12/h1-6,9,17H,7-8,10-11H2
InChIKeyHPDDFGJELXEBMA-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.24
Rot. Bonds3

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

1-benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol (PubChem CID 130604880) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
PubChem CID130604880
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
SMILESOC1(c2ccsn2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H16N2OS/c17-14(13-6-9-18-15-13)7-8-16(11-14)10-12-4-2-1-3-5-12/h1-6,9,17H,7-8,10-11H2
InChIKeyHPDDFGJELXEBMA-UHFFFAOYSA-N
XLogP2.24
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol
CID 130627545
1-Benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 130804786
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-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol (CID 130604880) is 1-benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol is OC1(c2ccsn2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
The InChIKey is HPDDFGJELXEBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-14(13-6-9-18-15-13)7-8-16(11-14)10-12-4-2-1-3-5-12/h1-6,9,17H,7-8,10-11H2.
What are the key properties of 1-benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol?
1-benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol has a molecular weight of 260.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 130604880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).