N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide

C24H23N3O4S — CID 29137456

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
SMILESCc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cc4ccccc4oc3=O)nc12
InChIInChI=1S/C24H23N3O4S/c1-16-5-4-8-20-21(16)25-24(32-20)27(10-9-26-11-13-30-14-12-26)22(28)18-15-17-6-2-3-7-19(17)31-23(18)29/h2-8,15H,9-14H2,1H3
InChIKeyAGHMEDMBCWGFFP-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.69
Rot. Bonds5

About N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide

N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide (PubChem CID 29137456) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
PubChem CID29137456
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
SMILESCc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cc4ccccc4oc3=O)nc12
InChIInChI=1S/C24H23N3O4S/c1-16-5-4-8-20-21(16)25-24(32-20)27(10-9-26-11-13-30-14-12-26)22(28)18-15-17-6-2-3-7-19(17)31-23(18)29/h2-8,15H,9-14H2,1H3
InChIKeyAGHMEDMBCWGFFP-UHFFFAOYSA-N
XLogP3.69
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-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-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-oxochromene-3-carboxamide;hydrochloride
CID 44936504
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 29138372
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenoxybenzamide;hydrochloride
CID 44932828
4-tert-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137466
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenoxyacetamide
CID 7622366
2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(2-oxochromene-3-carbonyl)amino]ethyl-dimethylazanium
CID 7510838
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44900165
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-5-nitrothiophene-2-carboxamide
CID 18583040
4-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998513
3-bromo-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44934292
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 25319285
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 18583161

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide (CID 29137456) is N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide is Cc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cc4ccccc4oc3=O)nc12.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
The InChIKey is AGHMEDMBCWGFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-16-5-4-8-20-21(16)25-24(32-20)27(10-9-26-11-13-30-14-12-26)22(28)18-15-17-6-2-3-7-19(17)31-23(18)29/h2-8,15H,9-14H2,1H3.
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide?
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 29137456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).