2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide

C20H18N4OS — CID 43943238

IUPAC2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2c(C)nc3ccccn23)sc2cc(C)ccc21
InChIInChI=1S/C20H18N4OS/c1-4-10-23-15-9-8-13(2)12-16(15)26-20(23)22-19(25)18-14(3)21-17-7-5-6-11-24(17)18/h4-9,11-12H,1,10H2,2-3H3/b22-20-
InChIKeyNQJSEEJVFCJJRZ-XDOYNYLZSA-N
MW362.46 g/mol
LogP3.89
Rot. Bonds3

About 2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide

2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 43943238) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID43943238
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2c(C)nc3ccccn23)sc2cc(C)ccc21
InChIInChI=1S/C20H18N4OS/c1-4-10-23-15-9-8-13(2)12-16(15)26-20(23)22-19(25)18-14(3)21-17-7-5-6-11-24(17)18/h4-9,11-12H,1,10H2,2-3H3/b22-20-
InChIKeyNQJSEEJVFCJJRZ-XDOYNYLZSA-N
XLogP3.89
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)naphthalene-2-carboxamide
CID 5054088
N-[3-(2-ethoxyethyl)-6-fluoro-1,3-benzothiazol-2-ylidene]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 43938254
methyl 2-[6-methoxy-2-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 43941053
N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 43938605
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
3,4,5-triethoxy-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3605897
N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4295260
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
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 3657348
2-cyclopentyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43942546
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
CID 41016385
N-(5,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 41016387

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide (CID 43943238) is 2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide is C=CCn1/c(=N/C(=O)c2c(C)nc3ccccn23)sc2cc(C)ccc21.
What is the InChIKey of 2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NQJSEEJVFCJJRZ-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-4-10-23-15-9-8-13(2)12-16(15)26-20(23)22-19(25)18-14(3)21-17-7-5-6-11-24(17)18/h4-9,11-12H,1,10H2,2-3H3/b22-20-.
What are the key properties of 2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide?
2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 43943238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).