methyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate

C20H16N4O5S — CID 43941406

IUPACmethyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
SMILESCOC(=O)Cn1/c(=N/C(=O)c2c(C)nc3ccccn23)sc2cc3c(cc21)OCO3
InChIInChI=1S/C20H16N4O5S/c1-11-18(23-6-4-3-5-16(23)21-11)19(26)22-20-24(9-17(25)27-2)12-7-13-14(29-10-28-13)8-15(12)30-20/h3-8H,9-10H2,1-2H3/b22-20-
InChIKeyTYZQVGIZXRLBDR-XDOYNYLZSA-N
MW424.44 g/mol
LogP2.30
Rot. Bonds3

About methyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate

methyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate (PubChem CID 43941406) has the molecular formula C20H16N4O5S and a molecular weight of 424.44 g/mol. Its IUPAC name is methyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
PubChem CID43941406
Molecular FormulaC20H16N4O5S
Molecular Weight424.44 g/mol
Exact Mass424.08
IUPAC Namemethyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
SMILESCOC(=O)Cn1/c(=N/C(=O)c2c(C)nc3ccccn23)sc2cc3c(cc21)OCO3
InChIInChI=1S/C20H16N4O5S/c1-11-18(23-6-4-3-5-16(23)21-11)19(26)22-20-24(9-17(25)27-2)12-7-13-14(29-10-28-13)8-15(12)30-20/h3-8H,9-10H2,1-2H3/b22-20-
InChIKeyTYZQVGIZXRLBDR-XDOYNYLZSA-N
XLogP2.30
TPSA96.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-methyl-N-(7-prop-2-ynyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)imidazo[1,2-a]pyridine-3-carboxamide
CID 43945959
methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 43941053
methyl 2-[6-(4-benzylbenzoyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 41007186
methyl 2-[6-(3,4-dimethylbenzoyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 40508736
methyl 2-[6-(3-chloro-1-benzothiophene-2-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 41007021
methyl 2-[6-(2-thiophen-2-ylacetyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 41340106
methyl 2-[6-(4-oxochromene-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 41007151
methyl 2-[6-(9H-xanthene-9-carbonylimino)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 43940217
methyl 2-[6-(cyclopropanecarbonylimino)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 40508751
methyl 2-[2-(2-chlorobenzoyl)imino-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-3-yl]acetate
CID 40997413
methyl 2-[2-(1,3-benzodioxole-5-carbonylimino)-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 41106837
methyl 2-[2-(4-benzylbenzoyl)imino-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-3-yl]acetate
CID 41006673

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate?
The IUPAC name of methyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate (CID 43941406) is methyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate.
What is the SMILES notation for methyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate?
The canonical SMILES for methyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate is COC(=O)Cn1/c(=N/C(=O)c2c(C)nc3ccccn23)sc2cc3c(cc21)OCO3.
What is the InChIKey of methyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate?
The InChIKey is TYZQVGIZXRLBDR-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H16N4O5S/c1-11-18(23-6-4-3-5-16(23)21-11)19(26)22-20-24(9-17(25)27-2)12-7-13-14(29-10-28-13)8-15(12)30-20/h3-8H,9-10H2,1-2H3/b22-20-.
What are the key properties of methyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate?
methyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate has a molecular weight of 424.44 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate is sourced from PubChem (CID 43941406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).