N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide

C19H11N3OS — CID 74892449

IUPACN-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESN#Cc1cccc2nc(NC(=O)c3ccc4ccccc4c3)sc12
InChIInChI=1S/C19H11N3OS/c20-11-15-6-3-7-16-17(15)24-19(21-16)22-18(23)14-9-8-12-4-1-2-5-13(12)10-14/h1-10H,(H,21,22,23)
InChIKeyHLUYJCRLUOURJL-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.57
Rot. Bonds2

About N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide

N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 74892449) has the molecular formula C19H11N3OS and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
PubChem CID74892449
Molecular FormulaC19H11N3OS
Molecular Weight329.38 g/mol
Exact Mass329.06
IUPAC NameN-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
SMILESN#Cc1cccc2nc(NC(=O)c3ccc4ccccc4c3)sc12
InChIInChI=1S/C19H11N3OS/c20-11-15-6-3-7-16-17(15)24-19(21-16)22-18(23)14-9-8-12-4-1-2-5-13(12)10-14/h1-10H,(H,21,22,23)
InChIKeyHLUYJCRLUOURJL-UHFFFAOYSA-N
XLogP4.57
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(naphthalene-2-carbonylamino)-1,3-benzothiazol-6-yl]naphthalene-2-carboxamide
CID 4025738
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 8670065
methyl 2-(naphthalene-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 4229260
N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide
CID 40959415
N-quinolin-2-ylnaphthalene-2-carboxamide
CID 46811579
N-(4-cyano-1,3-benzothiazol-2-yl)benzamide
CID 134128549
N-(7-nitro-1,3-benzothiazol-2-yl)benzamide
CID 13481964
N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide
CID 4083468
N-(6-cyano-1,3-benzothiazol-2-yl)benzamide
CID 25259294
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 7092391
N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 2150798
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135

Frequently Asked Questions

What is the IUPAC name of N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide (CID 74892449) is N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide is N#Cc1cccc2nc(NC(=O)c3ccc4ccccc4c3)sc12.
What is the InChIKey of N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
The InChIKey is HLUYJCRLUOURJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3OS/c20-11-15-6-3-7-16-17(15)24-19(21-16)22-18(23)14-9-8-12-4-1-2-5-13(12)10-14/h1-10H,(H,21,22,23).
What are the key properties of N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?
N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyano-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 74892449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).