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

C20H20N2OS — CID 4154286

IUPACN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCc1ccc2c(c1)s/c(=N\C(=O)c1ccc3c(c1)CCCC3)n2C
InChIInChI=1S/C20H20N2OS/c1-13-7-10-17-18(11-13)24-20(22(17)2)21-19(23)16-9-8-14-5-3-4-6-15(14)12-16/h7-12H,3-6H2,1-2H3/b21-20-
InChIKeyQSHMUGKRQNPYEN-MRCUWXFGSA-N
MW336.46 g/mol
LogP4.17
Rot. Bonds1

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

N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 4154286) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID4154286
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCc1ccc2c(c1)s/c(=N\C(=O)c1ccc3c(c1)CCCC3)n2C
InChIInChI=1S/C20H20N2OS/c1-13-7-10-17-18(11-13)24-20(22(17)2)21-19(23)16-9-8-14-5-3-4-6-15(14)12-16/h7-12H,3-6H2,1-2H3/b21-20-
InChIKeyQSHMUGKRQNPYEN-MRCUWXFGSA-N
XLogP4.17
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
CID 4984113
N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16850685
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 40996459
N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 41125541
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfonylbenzamide
CID 7553173
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 4671206
N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 41125763
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide
CID 3267822
ethyl 2-[6-fluoro-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate
CID 3307085
5-bromo-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 5103794
4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2330376
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 41073017

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 4154286) is N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is Cc1ccc2c(c1)s/c(=N\C(=O)c1ccc3c(c1)CCCC3)n2C.
What is the InChIKey of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is QSHMUGKRQNPYEN-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-13-7-10-17-18(11-13)24-20(22(17)2)21-19(23)16-9-8-14-5-3-4-6-15(14)12-16/h7-12H,3-6H2,1-2H3/b21-20-.
What are the key properties of N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 4154286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).