4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C19H20N2O2S — CID 40697618

IUPAC4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCOc1ccc(C(=O)/N=c2\sc3cc(C)c(C)cc3n2C)cc1
InChIInChI=1S/C19H20N2O2S/c1-5-23-15-8-6-14(7-9-15)18(22)20-19-21(4)16-10-12(2)13(3)11-17(16)24-19/h6-11H,5H2,1-4H3/b20-19-
InChIKeyCNLVILFCKRQZJH-VXPUYCOJSA-N
MW340.45 g/mol
LogP4.00
Rot. Bonds3

About 4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 40697618) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID40697618
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCOc1ccc(C(=O)/N=c2\sc3cc(C)c(C)cc3n2C)cc1
InChIInChI=1S/C19H20N2O2S/c1-5-23-15-8-6-14(7-9-15)18(22)20-19-21(4)16-10-12(2)13(3)11-17(16)24-19/h6-11H,5H2,1-4H3/b20-19-
InChIKeyCNLVILFCKRQZJH-VXPUYCOJSA-N
XLogP4.00
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-diethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43980184
N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-ethoxybenzamide
CID 41125875
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-ethoxybenzamide
CID 3279559
3,4,5-triethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047816
4-ethoxy-N-(3-methyl-6-propan-2-yl-1,3-benzothiazol-2-ylidene)benzamide
CID 41235714
methyl 4-[(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 40697613
4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979722
2-(4-methylphenoxy)-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43980196
3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43980164
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-pentoxybenzamide
CID 3267822
N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)quinoxaline-6-carboxamide
CID 43980367
4-ethoxy-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3598474

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 40697618) is 4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is CCOc1ccc(C(=O)/N=c2\sc3cc(C)c(C)cc3n2C)cc1.
What is the InChIKey of 4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is CNLVILFCKRQZJH-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-5-23-15-8-6-14(7-9-15)18(22)20-19-21(4)16-10-12(2)13(3)11-17(16)24-19/h6-11H,5H2,1-4H3/b20-19-.
What are the key properties of 4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 340.45 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 40697618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).