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

About 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

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 (PubChem CID 43945959) has the molecular formula C20H14N4O3S and a molecular weight of 390.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	43945959
Molecular Formula	C20H14N4O3S
Molecular Weight	390.42 g/mol
Exact Mass	390.08
IUPAC Name	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
SMILES	C#CCn1/c(=N/C(=O)c2c(C)nc3ccccn23)sc2cc3c(cc21)OCO3
InChI	InChI=1S/C20H14N4O3S/c1-3-7-23-13-9-14-15(27-11-26-14)10-16(13)28-20(23)22-19(25)18-12(2)21-17-6-4-5-8-24(17)18/h1,4-6,8-10H,7,11H2,2H3/b22-20-
InChIKey	XTZLKDUUWWKRIT-XDOYNYLZSA-N
XLogP	2.76
TPSA	70.12 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	2
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.42
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C#CCn1/c(=N/C(=O)c2c(C)nc3ccccn23)sc2cc3c(cc21)OCO3.

What is the InChIKey of 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?

The InChIKey is XTZLKDUUWWKRIT-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H14N4O3S/c1-3-7-23-13-9-14-15(27-11-26-14)10-16(13)28-20(23)22-19(25)18-12(2)21-17-6-4-5-8-24(17)18/h1,4-6,8-10H,7,11H2,2H3/b22-20-.

What are the key properties of 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?

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 has a molecular weight of 390.42 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 43945959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).