3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid

C15H14N2O2S — CID 118739015

IUPAC3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid
SMILESCC(C)c1nc(-c2cc(C(=O)O)c3ccccn23)cs1
InChIInChI=1S/C15H14N2O2S/c1-9(2)14-16-11(8-20-14)13-7-10(15(18)19)12-5-3-4-6-17(12)13/h3-9H,1-2H3,(H,18,19)
InChIKeyJWLIPFXIPFKUFF-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.88
Rot. Bonds3

About 3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid

3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid (PubChem CID 118739015) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid
PubChem CID118739015
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid
SMILESCC(C)c1nc(-c2cc(C(=O)O)c3ccccn23)cs1
InChIInChI=1S/C15H14N2O2S/c1-9(2)14-16-11(8-20-14)13-7-10(15(18)19)12-5-3-4-6-17(12)13/h3-9H,1-2H3,(H,18,19)
InChIKeyJWLIPFXIPFKUFF-UHFFFAOYSA-N
XLogP3.88
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid?
The IUPAC name of 3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid (CID 118739015) is 3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid.
What is the SMILES notation for 3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid?
The canonical SMILES for 3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid is CC(C)c1nc(-c2cc(C(=O)O)c3ccccn23)cs1.
What is the InChIKey of 3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid?
The InChIKey is JWLIPFXIPFKUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-9(2)14-16-11(8-20-14)13-7-10(15(18)19)12-5-3-4-6-17(12)13/h3-9H,1-2H3,(H,18,19).
What are the key properties of 3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid?
3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid has a molecular weight of 286.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yl-1,3-thiazol-4-yl)indolizine-1-carboxylic acid is sourced from PubChem (CID 118739015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).