N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide

C19H19FN2OS — CID 41001326

IUPACN-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cccc(F)c21
InChIInChI=1S/C19H19FN2OS/c1-4-10-22-17-15(20)6-5-7-16(17)24-19(22)21-18(23)14-9-8-12(2)13(3)11-14/h5-9,11H,4,10H2,1-3H3/b21-19-
InChIKeyXSZRPOQLAFPJBN-VZCXRCSSSA-N
MW342.44 g/mol
LogP4.61
Rot. Bonds3

About N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide

N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide (PubChem CID 41001326) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
PubChem CID41001326
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC NameN-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
SMILESCCCn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cccc(F)c21
InChIInChI=1S/C19H19FN2OS/c1-4-10-22-17-15(20)6-5-7-16(17)24-19(22)21-18(23)14-9-8-12(2)13(3)11-14/h5-9,11H,4,10H2,1-3H3/b21-19-
InChIKeyXSZRPOQLAFPJBN-VZCXRCSSSA-N
XLogP4.61
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-3,4-dimethylbenzamide
CID 4640222
N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxybenzamide
CID 41149476
4-cyano-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40697470
4-(diethylsulfamoyl)-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41149378
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 43984617
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide
CID 41149424
N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]naphthalene-2-carboxamide
CID 4085701
3-ethylsulfonyl-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41005082
4-[benzyl(ethyl)sulfamoyl]-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41001497
ethyl 2-[4-fluoro-2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 4098313
N-[3-(2-ethoxyethyl)-4-fluoro-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide
CID 4069887
N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-pentoxybenzamide
CID 4533956

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The IUPAC name of N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide (CID 41001326) is N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The canonical SMILES for N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide is CCCn1/c(=N/C(=O)c2ccc(C)c(C)c2)sc2cccc(F)c21.
What is the InChIKey of N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
The InChIKey is XSZRPOQLAFPJBN-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-4-10-22-17-15(20)6-5-7-16(17)24-19(22)21-18(23)14-9-8-12(2)13(3)11-14/h5-9,11H,4,10H2,1-3H3/b21-19-.
What are the key properties of N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide?
N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide has a molecular weight of 342.44 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide is sourced from PubChem (CID 41001326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).