6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide

C23H12Cl2N2O3S — CID 21235330

IUPAC6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C23H12Cl2N2O3S/c24-16-8-15-9-17(22(29)30-20(15)18(25)10-16)21(28)27-23-26-19(11-31-23)14-6-5-12-3-1-2-4-13(12)7-14/h1-11H,(H,26,27,28)
InChIKeyNITCGSCYBFWFSW-UHFFFAOYSA-N
MW467.33 g/mol
LogP6.63
Rot. Bonds3

About 6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide

6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide (PubChem CID 21235330) has the molecular formula C23H12Cl2N2O3S and a molecular weight of 467.33 g/mol. Its IUPAC name is 6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
PubChem CID21235330
Molecular FormulaC23H12Cl2N2O3S
Molecular Weight467.33 g/mol
Exact Mass465.99
IUPAC Name6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc2cc(Cl)cc(Cl)c2oc1=O
InChIInChI=1S/C23H12Cl2N2O3S/c24-16-8-15-9-17(22(29)30-20(15)18(25)10-16)21(28)27-23-26-19(11-31-23)14-6-5-12-3-1-2-4-13(12)7-14/h1-11H,(H,26,27,28)
InChIKeyNITCGSCYBFWFSW-UHFFFAOYSA-N
XLogP6.63
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.33
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-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

2,5-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 4670765
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
5-(2,4-dichlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 17110826
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
2-(4-chlorophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786296
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
6,8-dichloro-2-(4-methylphenyl)imino-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]chromene-3-carboxamide
CID 3993822
4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 58911073
3-oxo-N-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromene-2-carboxamide
CID 3953765
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide (CID 21235330) is 6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc2cc(Cl)cc(Cl)c2oc1=O.
What is the InChIKey of 6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
The InChIKey is NITCGSCYBFWFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Cl2N2O3S/c24-16-8-15-9-17(22(29)30-20(15)18(25)10-16)21(28)27-23-26-19(11-31-23)14-6-5-12-3-1-2-4-13(12)7-14/h1-11H,(H,26,27,28).
What are the key properties of 6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide?
6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide has a molecular weight of 467.33 g/mol, XLogP of 6.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 21235330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).