4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate

C19H15N4O2S- — CID 6968515

IUPAC4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate
SMILESCc1ccn2c(-c3csc(Nc4ccc(C(=O)[O-])cc4)n3)c(C)nc2c1
InChIInChI=1S/C19H16N4O2S/c1-11-7-8-23-16(9-11)20-12(2)17(23)15-10-26-19(22-15)21-14-5-3-13(4-6-14)18(24)25/h3-10H,1-2H3,(H,21,22)(H,24,25)/p-1
InChIKeyWCFVPEYROOCQPO-UHFFFAOYSA-M
MW363.42 g/mol
LogP3.18
Rot. Bonds4

About 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate

4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate (PubChem CID 6968515) has the molecular formula C19H15N4O2S- and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate.

Molecular Properties

Compound Name4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate
PubChem CID6968515
Molecular FormulaC19H15N4O2S-
Molecular Weight363.42 g/mol
Exact Mass363.09
IUPAC Name4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate
SMILESCc1ccn2c(-c3csc(Nc4ccc(C(=O)[O-])cc4)n3)c(C)nc2c1
InChIInChI=1S/C19H16N4O2S/c1-11-7-8-23-16(9-11)20-12(2)17(23)15-10-26-19(22-15)21-14-5-3-13(4-6-14)18(24)25/h3-10H,1-2H3,(H,21,22)(H,24,25)/p-1
InChIKeyWCFVPEYROOCQPO-UHFFFAOYSA-M
XLogP3.18
TPSA82.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate?
The IUPAC name of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate (CID 6968515) is 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate.
What is the SMILES notation for 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate?
The canonical SMILES for 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate is Cc1ccn2c(-c3csc(Nc4ccc(C(=O)[O-])cc4)n3)c(C)nc2c1.
What is the InChIKey of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate?
The InChIKey is WCFVPEYROOCQPO-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16N4O2S/c1-11-7-8-23-16(9-11)20-12(2)17(23)15-10-26-19(22-15)21-14-5-3-13(4-6-14)18(24)25/h3-10H,1-2H3,(H,21,22)(H,24,25)/p-1.
What are the key properties of 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate?
4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate has a molecular weight of 363.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate is sourced from PubChem (CID 6968515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).