3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

C14H15N3O3S — CID 63792301

IUPAC3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)Cc1cn2ccccc2n1
InChIInChI=1S/C14H15N3O3S/c1-9-17(11(8-21-9)14(19)20)13(18)6-10-7-16-5-3-2-4-12(16)15-10/h2-5,7,9,11H,6,8H2,1H3,(H,19,20)
InChIKeyHOYMFBXIABWSJU-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.25
Rot. Bonds3

About 3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792301) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792301
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)Cc1cn2ccccc2n1
InChIInChI=1S/C14H15N3O3S/c1-9-17(11(8-21-9)14(19)20)13(18)6-10-7-16-5-3-2-4-12(16)15-10/h2-5,7,9,11H,6,8H2,1H3,(H,19,20)
InChIKeyHOYMFBXIABWSJU-UHFFFAOYSA-N
XLogP1.25
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 63106394
3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032317
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 119644297
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721961
1-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146565
2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone
CID 146126092
2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39299976
1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 112736827
2-methyl-3-(4-phenoxybutanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792319
2-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95319617
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]acetic acid
CID 43170541
3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791784

Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63792301) is 3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)Cc1cn2ccccc2n1.
What is the InChIKey of 3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HOYMFBXIABWSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-17(11(8-21-9)14(19)20)13(18)6-10-7-16-5-3-2-4-12(16)15-10/h2-5,7,9,11H,6,8H2,1H3,(H,19,20).
What are the key properties of 3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).