4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid

C23H21N3O2S — CID 59160881

IUPAC4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid
SMILESCc1nc2ccccn2c1-c1csc(C2(c3ccc(C(=O)O)cc3)CCCC2)n1
InChIInChI=1S/C23H21N3O2S/c1-15-20(26-13-5-2-6-19(26)24-15)18-14-29-22(25-18)23(11-3-4-12-23)17-9-7-16(8-10-17)21(27)28/h2,5-10,13-14H,3-4,11-12H2,1H3,(H,27,28)
InChIKeyBJEMGZKZGSEASX-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.32
Rot. Bonds4

About 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid

4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid (PubChem CID 59160881) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid.

Molecular Properties

Compound Name4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid
PubChem CID59160881
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid
SMILESCc1nc2ccccn2c1-c1csc(C2(c3ccc(C(=O)O)cc3)CCCC2)n1
InChIInChI=1S/C23H21N3O2S/c1-15-20(26-13-5-2-6-19(26)24-15)18-14-29-22(25-18)23(11-3-4-12-23)17-9-7-16(8-10-17)21(27)28/h2,5-10,13-14H,3-4,11-12H2,1H3,(H,27,28)
InChIKeyBJEMGZKZGSEASX-UHFFFAOYSA-N
XLogP5.32
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid?
The IUPAC name of 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid (CID 59160881) is 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid.
What is the SMILES notation for 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid?
The canonical SMILES for 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid is Cc1nc2ccccn2c1-c1csc(C2(c3ccc(C(=O)O)cc3)CCCC2)n1.
What is the InChIKey of 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid?
The InChIKey is BJEMGZKZGSEASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-15-20(26-13-5-2-6-19(26)24-15)18-14-29-22(25-18)23(11-3-4-12-23)17-9-7-16(8-10-17)21(27)28/h2,5-10,13-14H,3-4,11-12H2,1H3,(H,27,28).
What are the key properties of 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid?
4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid has a molecular weight of 403.51 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopentyl]benzoic acid is sourced from PubChem (CID 59160881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).