N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide

C20H16N2OS — CID 8670065

IUPACN-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESCc1cc2nc(NC(=O)c3ccc4ccccc4c3)sc2cc1C
InChIInChI=1S/C20H16N2OS/c1-12-9-17-18(10-13(12)2)24-20(21-17)22-19(23)16-8-7-14-5-3-4-6-15(14)11-16/h3-11H,1-2H3,(H,21,22,23)
InChIKeySAGCIDMJEKOEJI-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.32
Rot. Bonds2

About N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide

N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 8670065) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
PubChem CID8670065
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC NameN-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESCc1cc2nc(NC(=O)c3ccc4ccccc4c3)sc2cc1C
InChIInChI=1S/C20H16N2OS/c1-12-9-17-18(10-13(12)2)24-20(21-17)22-19(23)16-8-7-14-5-3-4-6-15(14)11-16/h3-11H,1-2H3,(H,21,22,23)
InChIKeySAGCIDMJEKOEJI-UHFFFAOYSA-N
XLogP5.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 4229260
2-chloro-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41047701
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7524846
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 960429
4-[cyclopropyl(methyl)sulfamoyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 41364346
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide
CID 43988747
N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 2150798
N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 74892449
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 952086

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide (CID 8670065) is N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide is Cc1cc2nc(NC(=O)c3ccc4ccccc4c3)sc2cc1C.
What is the InChIKey of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
The InChIKey is SAGCIDMJEKOEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-12-9-17-18(10-13(12)2)24-20(21-17)22-19(23)16-8-7-14-5-3-4-6-15(14)11-16/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 8670065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).