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

C18H13N3O2S — CID 86084689

IUPAC2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc3ccccn3c2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H13N3O2S/c1-11-9-24-18(19-11)16-17(21-7-3-2-4-15(21)20-16)12-5-6-13-14(8-12)23-10-22-13/h2-9H,10H2,1H3
InChIKeyLSCLQIFPPHNFRW-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.16
Rot. Bonds2

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

2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,3-thiazole (PubChem CID 86084689) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,3-thiazole
PubChem CID86084689
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc3ccccn3c2-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C18H13N3O2S/c1-11-9-24-18(19-11)16-17(21-7-3-2-4-15(21)20-16)12-5-6-13-14(8-12)23-10-22-13/h2-9H,10H2,1H3
InChIKeyLSCLQIFPPHNFRW-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

Analyze 2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,3-thiazole with MolForge

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Related Compounds

8,9-Dimethoxy-1-(1,3-Thiazol-5-Yl)-5,6-Dihydroimidazo[5,1-A]isoquinoline
CID 50903255
Benzo[1,3]dioxol-5-ylmethyl-(2-phenyl-imidazo[1,2-a]pyridin-3-yl)-amine
CID 857997
Benzo[1,3]dioxol-5-ylmethyl-[2-(4-methoxy-phenyl)-imidazo[1,2-a]pyridin-3-yl]-amine
CID 3205757
6-(1,3-Benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 3244537
3-(benzo[d][1,3]dioxol-5-yl)-2-(pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 10946675
2-[(E)-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 11485823
1-N-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 46242007
5-(8,9-Dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole
CID 50901948
4-(8,9-Dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole
CID 50901954
5-(8,9-Dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole
CID 50902289
US9670204, 82 N-(2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)-4-(4-methoxyphenyl)-N-methylthiazol-2-amine
CID 90446729
3-(1,3-Benzodioxol-5-yl)-6-(2-methylphenyl)imidazo[1,2-a]pyrazine
CID 117770440

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,3-thiazole (CID 86084689) is 2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,3-thiazole is Cc1csc(-c2nc3ccccn3c2-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is LSCLQIFPPHNFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-11-9-24-18(19-11)16-17(21-7-3-2-4-15(21)20-16)12-5-6-13-14(8-12)23-10-22-13/h2-9H,10H2,1H3.
What are the key properties of 2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,3-thiazole?
2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-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 2-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 86084689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).