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

C18H18N2OS2 — CID 7295135

IUPACN-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1nc2c(CC)cccc2s1
InChIInChI=1S/C18H18N2OS2/c1-3-12-8-7-11-15-16(12)19-18(23-15)20-17(21)13-9-5-6-10-14(13)22-4-2/h5-11H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyURZWQLICAZIMPG-UHFFFAOYSA-N
MW342.49 g/mol
LogP5.22
Rot. Bonds5

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

N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide (PubChem CID 7295135) has the molecular formula C18H18N2OS2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
PubChem CID7295135
Molecular FormulaC18H18N2OS2
Molecular Weight342.49 g/mol
Exact Mass342.09
IUPAC NameN-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1nc2c(CC)cccc2s1
InChIInChI=1S/C18H18N2OS2/c1-3-12-8-7-11-15-16(12)19-18(23-15)20-17(21)13-9-5-6-10-14(13)22-4-2/h5-11H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyURZWQLICAZIMPG-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7578411
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 43989583
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7590116
3-bromo-N-(4-ethyl-1,3-benzothiazol-2-yl)benzamide
CID 7202745
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
CID 41235427
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanylbenzamide
CID 41147133
N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 43962789
2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615172
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)urea
CID 121082547
(4-ethyl-1,3-benzothiazol-2-yl)thiourea
CID 30032212
N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 7189824

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide?
The IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide (CID 7295135) is N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide.
What is the SMILES notation for N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide?
The canonical SMILES for N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide is CCSc1ccccc1C(=O)Nc1nc2c(CC)cccc2s1.
What is the InChIKey of N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide?
The InChIKey is URZWQLICAZIMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS2/c1-3-12-8-7-11-15-16(12)19-18(23-15)20-17(21)13-9-5-6-10-14(13)22-4-2/h5-11H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide?
N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide has a molecular weight of 342.49 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide is sourced from PubChem (CID 7295135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).