N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

C20H16N2OS — CID 4583356

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESCc1ccc2sc(NC(=O)c3cccc4ccccc34)nc2c1C
InChIInChI=1S/C20H16N2OS/c1-12-10-11-17-18(13(12)2)21-20(24-17)22-19(23)16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3,(H,21,22,23)
InChIKeyOOHBXZYPWRVVOJ-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.32
Rot. Bonds2

About N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 4583356) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
PubChem CID4583356
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESCc1ccc2sc(NC(=O)c3cccc4ccccc34)nc2c1C
InChIInChI=1S/C20H16N2OS/c1-12-10-11-17-18(13(12)2)21-20(24-17)22-19(23)16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3,(H,21,22,23)
InChIKeyOOHBXZYPWRVVOJ-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-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 735318
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 5139354
N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 40619545
2,6-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 35591092
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 3297562
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 3329681
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4502392
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide
CID 24594441
3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 121082978
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzamide
CID 16848795

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (CID 4583356) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is Cc1ccc2sc(NC(=O)c3cccc4ccccc34)nc2c1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is OOHBXZYPWRVVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-12-10-11-17-18(13(12)2)21-20(24-17)22-19(23)16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-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-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 4583356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).