N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide

C25H18N2OS — CID 3100049

IUPACN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4cccc5ccccc45)cc3)sc2c1
InChIInChI=1S/C25H18N2OS/c1-16-9-14-22-23(15-16)29-25(27-22)18-10-12-19(13-11-18)26-24(28)21-8-4-6-17-5-2-3-7-20(17)21/h2-15H,1H3,(H,26,28)
InChIKeyPDGFHHRPJRNDBC-UHFFFAOYSA-N
MW394.50 g/mol
LogP6.68
Rot. Bonds3

About N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide (PubChem CID 3100049) has the molecular formula C25H18N2OS and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide
PubChem CID3100049
Molecular FormulaC25H18N2OS
Molecular Weight394.50 g/mol
Exact Mass394.11
IUPAC NameN-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4cccc5ccccc45)cc3)sc2c1
InChIInChI=1S/C25H18N2OS/c1-16-9-14-22-23(15-16)29-25(27-22)18-10-12-19(13-11-18)26-24(28)21-8-4-6-17-5-2-3-7-20(17)21/h2-15H,1H3,(H,26,28)
InChIKeyPDGFHHRPJRNDBC-UHFFFAOYSA-N
XLogP6.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 17113992
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 4954337
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 19165577
2-(2-ethoxyethoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 17122726
2-(3-methoxyphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinoline-4-carboxamide
CID 4643852
1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 108888002
2-iodo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 5155423
N'-(2-aminobenzoyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
CID 108529403
4-(butanoylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 2952764
3-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 1102694
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 780722
2-(2,6-dimethylphenoxy)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 4511260

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide (CID 3100049) is N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide is Cc1ccc2nc(-c3ccc(NC(=O)c4cccc5ccccc45)cc3)sc2c1.
What is the InChIKey of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide?
The InChIKey is PDGFHHRPJRNDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2OS/c1-16-9-14-22-23(15-16)29-25(27-22)18-10-12-19(13-11-18)26-24(28)21-8-4-6-17-5-2-3-7-20(17)21/h2-15H,1H3,(H,26,28).
What are the key properties of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide?
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 6.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 3100049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).