5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

C20H15ClN2O3S — CID 3315557

IUPAC5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESCOc1cc(OC)c2nc(NC(=O)c3cccc4c(Cl)cccc34)sc2c1
InChIInChI=1S/C20H15ClN2O3S/c1-25-11-9-16(26-2)18-17(10-11)27-20(22-18)23-19(24)14-7-3-6-13-12(14)5-4-8-15(13)21/h3-10H,1-2H3,(H,22,23,24)
InChIKeyHKHTYGGXZOYZCW-UHFFFAOYSA-N
MW398.87 g/mol
LogP5.37
Rot. Bonds4

About 5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 3315557) has the molecular formula C20H15ClN2O3S and a molecular weight of 398.87 g/mol. Its IUPAC name is 5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
PubChem CID3315557
Molecular FormulaC20H15ClN2O3S
Molecular Weight398.87 g/mol
Exact Mass398.05
IUPAC Name5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESCOc1cc(OC)c2nc(NC(=O)c3cccc4c(Cl)cccc34)sc2c1
InChIInChI=1S/C20H15ClN2O3S/c1-25-11-9-16(26-2)18-17(10-11)27-20(22-18)23-19(24)14-7-3-6-13-12(14)5-4-8-15(13)21/h3-10H,1-2H3,(H,22,23,24)
InChIKeyHKHTYGGXZOYZCW-UHFFFAOYSA-N
XLogP5.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.87
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide
CID 5023943
N-(4-chloro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 2037986
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280
5-bromo-2-chloro-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3309801
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 17101907
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 40885043
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 3324697
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 7193198
2,4-dimethoxy-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 17177149
N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide
CID 3297361

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (CID 3315557) is 5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is COc1cc(OC)c2nc(NC(=O)c3cccc4c(Cl)cccc34)sc2c1.
What is the InChIKey of 5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is HKHTYGGXZOYZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3S/c1-25-11-9-16(26-2)18-17(10-11)27-20(22-18)23-19(24)14-7-3-6-13-12(14)5-4-8-15(13)21/h3-10H,1-2H3,(H,22,23,24).
What are the key properties of 5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide has a molecular weight of 398.87 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 3315557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).