N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide

C17H15N3OS2 — CID 4870950

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCC(=Cc1cccs1)C(=O)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C17H15N3OS2/c1-11(9-13-3-2-8-22-13)16(21)19-12-4-5-15-14(10-12)20-7-6-18-17(20)23-15/h2-5,8-10H,6-7H2,1H3,(H,19,21)
InChIKeyNYJWYLNSWSTRAY-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.07
Rot. Bonds3

About N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide (PubChem CID 4870950) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide
PubChem CID4870950
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide
SMILESCC(=Cc1cccs1)C(=O)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C17H15N3OS2/c1-11(9-13-3-2-8-22-13)16(21)19-12-4-5-15-14(10-12)20-7-6-18-17(20)23-15/h2-5,8-10H,6-7H2,1H3,(H,19,21)
InChIKeyNYJWYLNSWSTRAY-UHFFFAOYSA-N
XLogP4.07
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide (CID 4870950) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide is CC(=Cc1cccs1)C(=O)Nc1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide?
The InChIKey is NYJWYLNSWSTRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c1-11(9-13-3-2-8-22-13)16(21)19-12-4-5-15-14(10-12)20-7-6-18-17(20)23-15/h2-5,8-10H,6-7H2,1H3,(H,19,21).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide has a molecular weight of 341.46 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-yl)-2-methyl-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 4870950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).