N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide

C18H18N2O2S2 — CID 40694887

IUPACN-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
SMILESCCOc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1SC)n2C
InChIInChI=1S/C18H18N2O2S2/c1-4-22-12-9-10-14-16(11-12)24-18(20(14)2)19-17(21)13-7-5-6-8-15(13)23-3/h5-11H,4H2,1-3H3/b19-18-
InChIKeyHPKRQIIHCJKMMM-HNENSFHCSA-N
MW358.49 g/mol
LogP4.10
Rot. Bonds4

About N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide

N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide (PubChem CID 40694887) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
PubChem CID40694887
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
SMILESCCOc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1SC)n2C
InChIInChI=1S/C18H18N2O2S2/c1-4-22-12-9-10-14-16(11-12)24-18(20(14)2)19-17(21)13-7-5-6-8-15(13)23-3/h5-11H,4H2,1-3H3/b19-18-
InChIKeyHPKRQIIHCJKMMM-HNENSFHCSA-N
XLogP4.10
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-methyl-2-(2-methylsulfanylbenzoyl)imino-1,3-benzothiazole-6-carboxylate
CID 40694898
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide
CID 40694900
2-chloro-N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984447
(E)-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 2329553
4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide
CID 41235714
ethyl 2-[2-(2-methylsulfanylbenzoyl)imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate
CID 40951838
N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methoxybenzamide
CID 4105205
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-ethoxybenzamide
CID 3279559
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2152656
2-acetylsulfonyl-N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 3442346
(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
CID 54058185
2-ethylsulfanyl-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide
CID 41004794

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide?
The IUPAC name of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide (CID 40694887) is N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide is CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccccc1SC)n2C.
What is the InChIKey of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide?
The InChIKey is HPKRQIIHCJKMMM-HNENSFHCSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-4-22-12-9-10-14-16(11-12)24-18(20(14)2)19-17(21)13-7-5-6-8-15(13)23-3/h5-11H,4H2,1-3H3/b19-18-.
What are the key properties of N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide?
N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide has a molecular weight of 358.49 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylsulfanylbenzamide is sourced from PubChem (CID 40694887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).