N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide

C22H20N2O4S — CID 43984493

IUPACN-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
SMILESCCCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cc(OCC)ccc21
InChIInChI=1S/C22H20N2O4S/c1-3-11-24-17-10-9-15(27-4-2)13-19(17)29-22(24)23-20(25)16-12-14-7-5-6-8-18(14)28-21(16)26/h5-10,12-13H,3-4,11H2,1-2H3/b23-22-
InChIKeyQXGKSCDGEBUZJT-FCQUAONHSA-N
MW408.48 g/mol
LogP4.36
Rot. Bonds5

About N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide

N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide (PubChem CID 43984493) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
PubChem CID43984493
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
SMILESCCCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cc(OCC)ccc21
InChIInChI=1S/C22H20N2O4S/c1-3-11-24-17-10-9-15(27-4-2)13-19(17)29-22(24)23-20(25)16-12-14-7-5-6-8-18(14)28-21(16)26/h5-10,12-13H,3-4,11H2,1-2H3/b23-22-
InChIKeyQXGKSCDGEBUZJT-FCQUAONHSA-N
XLogP4.36
TPSA73.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
CID 43984891
2-chloro-N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984447
N-[3-(2-ethoxyethyl)-6-fluoro-1,3-benzothiazol-2-ylidene]-2-oxochromene-3-carboxamide
CID 4625675
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984529
ethyl 2-[6-methylsulfonyl-2-(2-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4138059
methyl 2-[2-(2-oxochromene-3-carbonyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate
CID 16821958
N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-oxochromene-3-carboxamide
CID 4185680
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
CID 43984453
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-oxochromene-3-carboxamide
CID 7154044
N-(4-methoxy-7-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
CID 41136926
ethyl 2-[4,6-dimethyl-2-(2-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41204103
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
CID 4121901

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide (CID 43984493) is N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide is CCCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cc(OCC)ccc21.
What is the InChIKey of N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide?
The InChIKey is QXGKSCDGEBUZJT-FCQUAONHSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-3-11-24-17-10-9-15(27-4-2)13-19(17)29-22(24)23-20(25)16-12-14-7-5-6-8-18(14)28-21(16)26/h5-10,12-13H,3-4,11H2,1-2H3/b23-22-.
What are the key properties of N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide?
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 43984493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).