N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide

C19H19FN2OS — CID 41136849

IUPACN-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
SMILESCCCn1/c(=N/C(=O)c2ccccc2F)sc2c(C)cc(C)cc21
InChIInChI=1S/C19H19FN2OS/c1-4-9-22-16-11-12(2)10-13(3)17(16)24-19(22)21-18(23)14-7-5-6-8-15(14)20/h5-8,10-11H,4,9H2,1-3H3/b21-19-
InChIKeyZGICMQWAPLJWBN-VZCXRCSSSA-N
MW342.44 g/mol
LogP4.61
Rot. Bonds3

About N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide

N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide (PubChem CID 41136849) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
PubChem CID41136849
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC NameN-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
SMILESCCCn1/c(=N/C(=O)c2ccccc2F)sc2c(C)cc(C)cc21
InChIInChI=1S/C19H19FN2OS/c1-4-9-22-16-11-12(2)10-13(3)17(16)24-19(22)21-18(23)14-7-5-6-8-15(14)20/h5-8,10-11H,4,9H2,1-3H3/b21-19-
InChIKeyZGICMQWAPLJWBN-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-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 43984141
2-chloro-N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 41202345
4-cyano-N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41136763
N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonylbenzamide
CID 41126001
N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41125927
ethyl 2-[2-(2-ethylsulfonylbenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 42524390
2,5-dichloro-N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 30680555
N-(5,7-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 2151426
N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 7247592
N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-fluorobenzamide
CID 41125937
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-2,5-dimethoxybenzamide
CID 16848920
methyl 2-[2-(2,3-dimethoxybenzoyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 40508387

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
The IUPAC name of N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide (CID 41136849) is N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide.
What is the SMILES notation for N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
The canonical SMILES for N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide is CCCn1/c(=N/C(=O)c2ccccc2F)sc2c(C)cc(C)cc21.
What is the InChIKey of N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
The InChIKey is ZGICMQWAPLJWBN-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19FN2OS/c1-4-9-22-16-11-12(2)10-13(3)17(16)24-19(22)21-18(23)14-7-5-6-8-15(14)20/h5-8,10-11H,4,9H2,1-3H3/b21-19-.
What are the key properties of N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide 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-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide is sourced from PubChem (CID 41136849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).