N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide

C19H12Cl2N2O2S — CID 40885043

IUPACN-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1
InChIInChI=1S/C19H12Cl2N2O2S/c1-25-15-7-11-5-3-2-4-10(11)6-13(15)18(24)23-19-22-17-14(21)8-12(20)9-16(17)26-19/h2-9H,1H3,(H,22,23,24)
InChIKeyCVPDLQATBRZQNA-UHFFFAOYSA-N
MW403.29 g/mol
LogP6.02
Rot. Bonds3

About N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide

N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 40885043) has the molecular formula C19H12Cl2N2O2S and a molecular weight of 403.29 g/mol. Its IUPAC name is N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
PubChem CID40885043
Molecular FormulaC19H12Cl2N2O2S
Molecular Weight403.29 g/mol
Exact Mass402.00
IUPAC NameN-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1
InChIInChI=1S/C19H12Cl2N2O2S/c1-25-15-7-11-5-3-2-4-10(11)6-13(15)18(24)23-19-22-17-14(21)8-12(20)9-16(17)26-19/h2-9H,1H3,(H,22,23,24)
InChIKeyCVPDLQATBRZQNA-UHFFFAOYSA-N
XLogP6.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.29
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-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-chloro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 2037986
2-N,6-N-bis(4,6-dichloro-1,3-benzothiazol-2-yl)pyridine-2,6-dicarboxamide
CID 43989361
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 1092938
N-(4-bromo-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methoxynaphthalene-2-carboxamide
CID 91680985
5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 3315557
2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide
CID 5023943
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 2551174
N-(1,3-benzothiazol-2-yl)-2-chloro-4,5-dimethoxybenzamide
CID 54516374
2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 17244612
3-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 5075767
N-(2-amino-4-chlorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 91687381
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide (CID 40885043) is N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1nc2c(Cl)cc(Cl)cc2s1.
What is the InChIKey of N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is CVPDLQATBRZQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N2O2S/c1-25-15-7-11-5-3-2-4-10(11)6-13(15)18(24)23-19-22-17-14(21)8-12(20)9-16(17)26-19/h2-9H,1H3,(H,22,23,24).
What are the key properties of N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide?
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 403.29 g/mol, XLogP of 6.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 40885043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).