N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide

C19H19FN2OS — CID 43984141

IUPACN-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
SMILESCCCn1/c(=N/C(=O)c2ccccc2F)sc2cc(CC)ccc21
InChIInChI=1S/C19H19FN2OS/c1-3-11-22-16-10-9-13(4-2)12-17(16)24-19(22)21-18(23)14-7-5-6-8-15(14)20/h5-10,12H,3-4,11H2,1-2H3/b21-19-
InChIKeyPHHTXGIAKTVPTJ-VZCXRCSSSA-N
MW342.44 g/mol
LogP4.56
Rot. Bonds4

About N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide

N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide (PubChem CID 43984141) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
PubChem CID43984141
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC NameN-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
SMILESCCCn1/c(=N/C(=O)c2ccccc2F)sc2cc(CC)ccc21
InChIInChI=1S/C19H19FN2OS/c1-3-11-22-16-10-9-13(4-2)12-17(16)24-19(22)21-18(23)14-7-5-6-8-15(14)20/h5-10,12H,3-4,11H2,1-2H3/b21-19-
InChIKeyPHHTXGIAKTVPTJ-VZCXRCSSSA-N
XLogP4.56
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[6-ethyl-2-(2-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 40694517
2,4-dichloro-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984080
4-benzyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984132
4-acetyl-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984091
N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 41136849
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide
CID 3433690
ethyl 2-(2-fluorobenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate
CID 4113943
4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984153
(E)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 43984083
N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide
CID 4178229
2-(1,3-dioxoisoindol-2-yl)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 8612234
N-(6-methyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxybenzamide
CID 43984041

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
The IUPAC name of N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide (CID 43984141) is N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide.
What is the SMILES notation for N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
The canonical SMILES for N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide is CCCn1/c(=N/C(=O)c2ccccc2F)sc2cc(CC)ccc21.
What is the InChIKey of N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
The InChIKey is PHHTXGIAKTVPTJ-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-3-11-22-16-10-9-13(4-2)12-17(16)24-19(22)21-18(23)14-7-5-6-8-15(14)20/h5-10,12H,3-4,11H2,1-2H3/b21-19-.
What are the key properties of N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide has a molecular weight of 342.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide is sourced from PubChem (CID 43984141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).