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

C21H17N3O2S — CID 59160821

IUPAC4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid
SMILESCc1nc2ccccn2c1-c1csc(C2(c3ccc(C(=O)O)cc3)CC2)n1
InChIInChI=1S/C21H17N3O2S/c1-13-18(24-11-3-2-4-17(24)22-13)16-12-27-20(23-16)21(9-10-21)15-7-5-14(6-8-15)19(25)26/h2-8,11-12H,9-10H2,1H3,(H,25,26)
InChIKeyDKQPUXFLMJSQAV-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.54
Rot. Bonds4

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

4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid (PubChem CID 59160821) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid.

Molecular Properties

Compound Name4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid
PubChem CID59160821
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC Name4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid
SMILESCc1nc2ccccn2c1-c1csc(C2(c3ccc(C(=O)O)cc3)CC2)n1
InChIInChI=1S/C21H17N3O2S/c1-13-18(24-11-3-2-4-17(24)22-13)16-12-27-20(23-16)21(9-10-21)15-7-5-14(6-8-15)19(25)26/h2-8,11-12H,9-10H2,1H3,(H,25,26)
InChIKeyDKQPUXFLMJSQAV-UHFFFAOYSA-N
XLogP4.54
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.54
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]cyclopropyl]benzoic acid?
The IUPAC name of 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid (CID 59160821) is 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid.
What is the SMILES notation for 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid?
The canonical SMILES for 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid is Cc1nc2ccccn2c1-c1csc(C2(c3ccc(C(=O)O)cc3)CC2)n1.
What is the InChIKey of 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid?
The InChIKey is DKQPUXFLMJSQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-13-18(24-11-3-2-4-17(24)22-13)16-12-27-20(23-16)21(9-10-21)15-7-5-14(6-8-15)19(25)26/h2-8,11-12H,9-10H2,1H3,(H,25,26).
What are the key properties of 4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid?
4-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzoic acid has a molecular weight of 375.45 g/mol, XLogP of 4.54, 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]cyclopropyl]benzoic acid is sourced from PubChem (CID 59160821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).