N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide

C20H22N2O2S — CID 4088393

IUPACN-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
SMILESCCOc1cccc2s/c(=N\C(=O)c3ccc(C)c(C)c3)n(CC)c12
InChIInChI=1S/C20H22N2O2S/c1-5-22-18-16(24-6-2)8-7-9-17(18)25-20(22)21-19(23)15-11-10-13(3)14(4)12-15/h7-12H,5-6H2,1-4H3/b21-20-
InChIKeyYUXMTMXKVKFOBZ-MRCUWXFGSA-N
MW354.48 g/mol
LogP4.48
Rot. Bonds4

About N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide

N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide (PubChem CID 4088393) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
PubChem CID4088393
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
SMILESCCOc1cccc2s/c(=N\C(=O)c3ccc(C)c(C)c3)n(CC)c12
InChIInChI=1S/C20H22N2O2S/c1-5-22-18-16(24-6-2)8-7-9-17(18)25-20(22)21-19(23)15-11-10-13(3)14(4)12-15/h7-12H,5-6H2,1-4H3/b21-20-
InChIKeyYUXMTMXKVKFOBZ-MRCUWXFGSA-N
XLogP4.48
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The IUPAC name of N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide (CID 4088393) is N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The canonical SMILES for N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide is CCOc1cccc2s/c(=N\C(=O)c3ccc(C)c(C)c3)n(CC)c12.
What is the InChIKey of N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The InChIKey is YUXMTMXKVKFOBZ-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-5-22-18-16(24-6-2)8-7-9-17(18)25-20(22)21-19(23)15-11-10-13(3)14(4)12-15/h7-12H,5-6H2,1-4H3/b21-20-.
What are the key properties of N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide has a molecular weight of 354.48 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide is sourced from PubChem (CID 4088393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).