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

C21H24N2O2S — CID 42524668

IUPAC2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCOc1cccc2s/c(=N\C(=O)Cc3ccc(C)cc3C)n(CC)c12
InChIInChI=1S/C21H24N2O2S/c1-5-23-20-17(25-6-2)8-7-9-18(20)26-21(23)22-19(24)13-16-11-10-14(3)12-15(16)4/h7-12H,5-6,13H2,1-4H3/b22-21-
InChIKeyNQWXPUMWDGSOIB-DQRAZIAOSA-N
MW368.50 g/mol
LogP4.41
Rot. Bonds5

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

2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 42524668) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID42524668
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESCCOc1cccc2s/c(=N\C(=O)Cc3ccc(C)cc3C)n(CC)c12
InChIInChI=1S/C21H24N2O2S/c1-5-23-20-17(25-6-2)8-7-9-18(20)26-21(23)22-19(24)13-16-11-10-14(3)12-15(16)4/h7-12H,5-6,13H2,1-4H3/b22-21-
InChIKeyNQWXPUMWDGSOIB-DQRAZIAOSA-N
XLogP4.41
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 4128205
N-(4-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-2-(2,4,6-trimethylphenyl)acetamide
CID 41343011
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
CID 4549679
2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42523430
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 4051224
2-(2,4-dimethoxyphenyl)-N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 16912578
N-(3-ethyl-4-methoxy-1,3-benzothiazol-2-ylidene)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848266
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)-2,6-difluorobenzamide
CID 5077933
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 4102084
2,5-dichloro-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)thiophene-3-carboxamide
CID 4055620

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide (CID 42524668) is 2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide is CCOc1cccc2s/c(=N\C(=O)Cc3ccc(C)cc3C)n(CC)c12.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is NQWXPUMWDGSOIB-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-5-23-20-17(25-6-2)8-7-9-18(20)26-21(23)22-19(24)13-16-11-10-14(3)12-15(16)4/h7-12H,5-6,13H2,1-4H3/b22-21-.
What are the key properties of 2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide?
2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 368.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 42524668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).