N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide

C19H14N2OS2 — CID 1040773

IUPACN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1
InChIInChI=1S/C19H14N2OS2/c1-23-19-21-16-10-9-13(11-17(16)24-19)20-18(22)15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3,(H,20,22)
InChIKeyVDWUUMZZSDTZLO-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.42
Rot. Bonds3

About N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide (PubChem CID 1040773) has the molecular formula C19H14N2OS2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
PubChem CID1040773
Molecular FormulaC19H14N2OS2
Molecular Weight350.47 g/mol
Exact Mass350.05
IUPAC NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
SMILESCSc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1
InChIInChI=1S/C19H14N2OS2/c1-23-19-21-16-10-9-13(11-17(16)24-19)20-18(22)15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3,(H,20,22)
InChIKeyVDWUUMZZSDTZLO-UHFFFAOYSA-N
XLogP5.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
N-[2-(2-anilino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide
CID 1040778
N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 91680673
N-[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide
CID 1251731
N-[2-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide
CID 3639226
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-1H-indazole-3-carboxamide
CID 26850847
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 959132
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
3,5-dichloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 43952428
5-iodo-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-3-carboxamide
CID 79692948
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100049
N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127363

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide (CID 1040773) is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide is CSc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1.
What is the InChIKey of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
The InChIKey is VDWUUMZZSDTZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS2/c1-23-19-21-16-10-9-13(11-17(16)24-19)20-18(22)15-8-4-6-12-5-2-3-7-14(12)15/h2-11H,1H3,(H,20,22).
What are the key properties of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide?
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 1040773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).