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

C18H10Cl2N2OS — CID 40619545

IUPACN-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc2ccccc12
InChIInChI=1S/C18H10Cl2N2OS/c19-13-8-9-14-16(15(13)20)21-18(24-14)22-17(23)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,21,22,23)
InChIKeyDDSDJQMFHUAFHM-UHFFFAOYSA-N
MW373.26 g/mol
LogP6.01
Rot. Bonds2

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

N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 40619545) has the molecular formula C18H10Cl2N2OS and a molecular weight of 373.26 g/mol. Its IUPAC name is N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
PubChem CID40619545
Molecular FormulaC18H10Cl2N2OS
Molecular Weight373.26 g/mol
Exact Mass371.99
IUPAC NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc2ccccc12
InChIInChI=1S/C18H10Cl2N2OS/c19-13-8-9-14-16(15(13)20)21-18(24-14)22-17(23)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,21,22,23)
InChIKeyDDSDJQMFHUAFHM-UHFFFAOYSA-N
XLogP6.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.26
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4583356
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 7193004
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 2150730
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4502392
N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 4675446
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849433
N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 7202712
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
4-tert-butyl-N-(4,5-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 40603954
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041455
methyl 4-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 2150731

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (CID 40619545) is N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc2ccccc12.
What is the InChIKey of N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is DDSDJQMFHUAFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2OS/c19-13-8-9-14-16(15(13)20)21-18(24-14)22-17(23)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,21,22,23).
What are the key properties of N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide has a molecular weight of 373.26 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 40619545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).