4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole

C18H13N3O2S — CID 5036530

IUPAC4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole
SMILESCc1nc2ccccn2c1-c1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C18H13N3O2S/c1-11-17(21-7-3-2-4-16(21)19-11)18-20-13(9-24-18)12-5-6-14-15(8-12)23-10-22-14/h2-9H,10H2,1H3
InChIKeyHNNGDCMFKJUGJX-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.16
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole

4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole (PubChem CID 5036530) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole
PubChem CID5036530
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole
SMILESCc1nc2ccccn2c1-c1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C18H13N3O2S/c1-11-17(21-7-3-2-4-16(21)19-11)18-20-13(9-24-18)12-5-6-14-15(8-12)23-10-22-14/h2-9H,10H2,1H3
InChIKeyHNNGDCMFKJUGJX-UHFFFAOYSA-N
XLogP4.16
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole (CID 5036530) is 4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole is Cc1nc2ccccn2c1-c1nc(-c2ccc3c(c2)OCO3)cs1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole?
The InChIKey is HNNGDCMFKJUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-11-17(21-7-3-2-4-16(21)19-11)18-20-13(9-24-18)12-5-6-14-15(8-12)23-10-22-14/h2-9H,10H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole?
4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole has a molecular weight of 335.39 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 5036530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).