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

C24H14Br2N2OS — CID 17318496

IUPACN-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc2ccccc2c1
InChIInChI=1S/C24H14Br2N2OS/c25-17-12-18(24-27-20-7-3-4-8-21(20)30-24)22(19(26)13-17)28-23(29)16-10-9-14-5-1-2-6-15(14)11-16/h1-13H,(H,28,29)
InChIKeyWGWDOUXBXIQJRV-UHFFFAOYSA-N
MW538.26 g/mol
LogP7.89
Rot. Bonds3

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

N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]naphthalene-2-carboxamide (PubChem CID 17318496) has the molecular formula C24H14Br2N2OS and a molecular weight of 538.26 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]naphthalene-2-carboxamide
PubChem CID17318496
Molecular FormulaC24H14Br2N2OS
Molecular Weight538.26 g/mol
Exact Mass535.92
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc2ccccc2c1
InChIInChI=1S/C24H14Br2N2OS/c25-17-12-18(24-27-20-7-3-4-8-21(20)30-24)22(19(26)13-17)28-23(29)16-10-9-14-5-1-2-6-15(14)11-16/h1-13H,(H,28,29)
InChIKeyWGWDOUXBXIQJRV-UHFFFAOYSA-N
XLogP7.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.26
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]-4-propan-2-ylbenzamide
CID 17318493
N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 3839053
N-[[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]carbamothioyl]-4-chlorobenzamide
CID 17316168
N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]-2-methylpropanamide
CID 17110415
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806
N-[[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]carbamothioyl]thiophene-2-carboxamide
CID 17316265
N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 17318560
N-[[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 17316269
N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 17318481
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]naphthalene-2-carboxamide
CID 16874515
N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]-2-(4-cyclohexylphenoxy)acetamide
CID 17318563
(E)-N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 17318566

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]naphthalene-2-carboxamide (CID 17318496) is N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]naphthalene-2-carboxamide is O=C(Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]naphthalene-2-carboxamide?
The InChIKey is WGWDOUXBXIQJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Br2N2OS/c25-17-12-18(24-27-20-7-3-4-8-21(20)30-24)22(19(26)13-17)28-23(29)16-10-9-14-5-1-2-6-15(14)11-16/h1-13H,(H,28,29).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]naphthalene-2-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)-4,6-dibromophenyl]naphthalene-2-carboxamide has a molecular weight of 538.26 g/mol, XLogP of 7.89, 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)-4,6-dibromophenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 17318496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).