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

C20H22N2O2S2 — CID 42523430

IUPAC2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCOc1cccc2s/c(=N\C(=O)CSCc3ccccc3)n(CC)c12
InChIInChI=1S/C20H22N2O2S2/c1-3-22-19-16(24-4-2)11-8-12-17(19)26-20(22)21-18(23)14-25-13-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3/b21-20-
InChIKeyCJMSUOWVSSQNQD-MRCUWXFGSA-N
MW386.54 g/mol
LogP4.48
Rot. Bonds7

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

2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 42523430) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID42523430
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC Name2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCOc1cccc2s/c(=N\C(=O)CSCc3ccccc3)n(CC)c12
InChIInChI=1S/C20H22N2O2S2/c1-3-22-19-16(24-4-2)11-8-12-17(19)26-20(22)21-18(23)14-25-13-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3/b21-20-
InChIKeyCJMSUOWVSSQNQD-MRCUWXFGSA-N
XLogP4.48
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-ethoxy-2-(2-phenylacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 7153814
3-(benzenesulfonyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7153853
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 4051224
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 4549679
2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42524668
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 4195493
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 4102084
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide
CID 5077933
N-[4-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]propanamide
CID 7153310
methyl 2-[2-(2-benzylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 42523483
2,5-dichloro-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
CID 4055620
N-(4-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 7152857

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide (CID 42523430) is 2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide is CCOc1cccc2s/c(=N\C(=O)CSCc3ccccc3)n(CC)c12.
What is the InChIKey of 2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is CJMSUOWVSSQNQD-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-3-22-19-16(24-4-2)11-8-12-17(19)26-20(22)21-18(23)14-25-13-15-9-6-5-7-10-15/h5-12H,3-4,13-14H2,1-2H3/b21-20-.
What are the key properties of 2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?
2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 386.54 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 42523430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).