N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide

C20H19F3N2O2S — CID 43984480

IUPACN-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
SMILESCCCn1/c(=N/C(=O)c2cccc(C(F)(F)F)c2)sc2cc(OCC)ccc21
InChIInChI=1S/C20H19F3N2O2S/c1-3-10-25-16-9-8-15(27-4-2)12-17(16)28-19(25)24-18(26)13-6-5-7-14(11-13)20(21,22)23/h5-9,11-12H,3-4,10H2,1-2H3/b24-19-
InChIKeyHPXWKVPTXFZLMI-CLCOLTQESA-N
MW408.45 g/mol
LogP5.27
Rot. Bonds5

About N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide

N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide (PubChem CID 43984480) has the molecular formula C20H19F3N2O2S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
PubChem CID43984480
Molecular FormulaC20H19F3N2O2S
Molecular Weight408.45 g/mol
Exact Mass408.11
IUPAC NameN-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
SMILESCCCn1/c(=N/C(=O)c2cccc(C(F)(F)F)c2)sc2cc(OCC)ccc21
InChIInChI=1S/C20H19F3N2O2S/c1-3-10-25-16-9-8-15(27-4-2)12-17(16)28-19(25)24-18(26)13-6-5-7-14(11-13)20(21,22)23/h5-9,11-12H,3-4,10H2,1-2H3/b24-19-
InChIKeyHPXWKVPTXFZLMI-CLCOLTQESA-N
XLogP5.27
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
CID 43984453
ethyl 2-[6-methoxy-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 4198304
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 43984529
2-[6-methoxy-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid
CID 89461757
methyl 3-(2-ethoxyethyl)-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazole-6-carboxylate
CID 4656905
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
CID 4281720
3-butoxy-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984384
N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-3-methylbenzamide
CID 5068215
3-chloro-N-[6-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 4108323
2-chloro-N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984447
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide
CID 43984449
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-3-methylbenzamide
CID 5081588

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide (CID 43984480) is N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide is CCCn1/c(=N/C(=O)c2cccc(C(F)(F)F)c2)sc2cc(OCC)ccc21.
What is the InChIKey of N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide?
The InChIKey is HPXWKVPTXFZLMI-CLCOLTQESA-N. The full InChI is InChI=1S/C20H19F3N2O2S/c1-3-10-25-16-9-8-15(27-4-2)12-17(16)28-19(25)24-18(26)13-6-5-7-14(11-13)20(21,22)23/h5-9,11-12H,3-4,10H2,1-2H3/b24-19-.
What are the key properties of N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide?
N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide has a molecular weight of 408.45 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-propyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 43984480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).