N-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C18H16N2OS — CID 18585470

IUPACN-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc2ncsc2c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H16N2OS/c21-18(14-6-5-12-3-1-2-4-13(12)9-14)20-15-7-8-16-17(10-15)22-11-19-16/h5-11H,1-4H2,(H,20,21)
InChIKeyGBMARVNEYMCCOZ-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.43
Rot. Bonds2

About N-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 18585470) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID18585470
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc2ncsc2c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H16N2OS/c21-18(14-6-5-12-3-1-2-4-13(12)9-14)20-15-7-8-16-17(10-15)22-11-19-16/h5-11H,1-4H2,(H,20,21)
InChIKeyGBMARVNEYMCCOZ-UHFFFAOYSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1,3-benzothiazol-6-yl)-2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenylpropanamide; 2,2,2-trifluoroacetic acid
CID 11190304
2,2,2-trifluoroacetic acid; N-(1,3-benzothiazol-6-yl)-2-(5-carbamimidoyl-1-benzothiophen-3-yl)-3-phenylpropanamide
CID 11271039
2-(1,3-benzothiazol-2-yl)-N-tert-butylbenzamide
CID 2078423
N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide
CID 2096442
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-ethylbenzamide
CID 24236869
2-[6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-benzothiazol-2-ylsulfanyl]-N-(2,4,6-trimethyl-phenyl)-acetamide
CID 1036924
N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 2729277
N-(2-aminophenyl)-4-((6-(pyridin-3-ylmethylamino)benzo[d]thiazol-2-ylthio)methyl)benzamide
CID 10278510
N-(2-aminophenyl)-4-((benzo[d]thiazol-2-ylthio)methyl)benzamide
CID 10293869
N-(2-aminophenyl)-4-((6-(pyridin-2-ylmethylamino)benzo[d]thiazol-2-ylthio)methyl)benzamide
CID 10300469
6-[[2-(4-tert-butylphenyl)benzoyl]amino]-N-[(1S)-2-oxo-2-(pentylamino)-1-phenylethyl]-1,3-benzothiazole-2-carboxamide
CID 25143420
N-[(1S)-2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]-6-[[2-(4-tert-butylphenyl)benzoyl]amino]-1,3-benzothiazole-2-carboxamide
CID 25143560

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 18585470) is N-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(Nc1ccc2ncsc2c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is GBMARVNEYMCCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c21-18(14-6-5-12-3-1-2-4-13(12)9-14)20-15-7-8-16-17(10-15)22-11-19-16/h5-11H,1-4H2,(H,20,21).
What are the key properties of N-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 18585470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).