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

C24H16N2OS — CID 3839053

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc2ccccc2c1
InChIInChI=1S/C24H16N2OS/c27-23(18-14-13-16-7-1-2-8-17(16)15-18)25-20-10-4-3-9-19(20)24-26-21-11-5-6-12-22(21)28-24/h1-15H,(H,25,27)
InChIKeyZYOOYSUWZXGQBF-UHFFFAOYSA-N
MW380.47 g/mol
LogP6.37
Rot. Bonds3

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

N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide (PubChem CID 3839053) has the molecular formula C24H16N2OS and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
PubChem CID3839053
Molecular FormulaC24H16N2OS
Molecular Weight380.47 g/mol
Exact Mass380.10
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc2ccccc2c1
InChIInChI=1S/C24H16N2OS/c27-23(18-14-13-16-7-1-2-8-17(16)15-18)25-20-10-4-3-9-19(20)24-26-21-11-5-6-12-22(21)28-24/h1-15H,(H,25,27)
InChIKeyZYOOYSUWZXGQBF-UHFFFAOYSA-N
XLogP6.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806
4-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 123563775
4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 26181585
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 16549827
N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]naphthalene-2-carboxamide
CID 17318496
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 2067664
N-[2-(1,3-benzothiazol-2-yl)phenyl]-9,10,10-trioxothioxanthene-3-carboxamide
CID 26181584
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4549252
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide
CID 40634821
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 4502426
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]naphthalene-2-carboxamide
CID 16874515
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 2489345

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide (CID 3839053) is N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide is O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide?
The InChIKey is ZYOOYSUWZXGQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2OS/c27-23(18-14-13-16-7-1-2-8-17(16)15-18)25-20-10-4-3-9-19(20)24-26-21-11-5-6-12-22(21)28-24/h1-15H,(H,25,27).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 6.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 3839053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).