N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide

C18H18N2O2S2 — CID 7578411

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
SMILESCCOc1cccc2sc(NC(=O)c3ccccc3SCC)nc12
InChIInChI=1S/C18H18N2O2S2/c1-3-22-13-9-7-11-15-16(13)19-18(24-15)20-17(21)12-8-5-6-10-14(12)23-4-2/h5-11H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyWLTRJBQOAJMEJI-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.06
Rot. Bonds6

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide (PubChem CID 7578411) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
PubChem CID7578411
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
SMILESCCOc1cccc2sc(NC(=O)c3ccccc3SCC)nc12
InChIInChI=1S/C18H18N2O2S2/c1-3-22-13-9-7-11-15-16(13)19-18(24-15)20-17(21)12-8-5-6-10-14(12)23-4-2/h5-11H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyWLTRJBQOAJMEJI-UHFFFAOYSA-N
XLogP5.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7295135
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3431686
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3344551
N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 958996
N-[2-(diethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 43962794
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7590116
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701
2-ethoxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 872228
2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 19214384

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide (CID 7578411) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide is CCOc1cccc2sc(NC(=O)c3ccccc3SCC)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide?
The InChIKey is WLTRJBQOAJMEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-3-22-13-9-7-11-15-16(13)19-18(24-15)20-17(21)12-8-5-6-10-14(12)23-4-2/h5-11H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide has a molecular weight of 358.49 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide is sourced from PubChem (CID 7578411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).