4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide

C19H17N3OS — CID 40691093

IUPAC4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCc1cccc2s/c(=N\C(=O)c3ccc(C#N)cc3)n(CC)c12
InChIInChI=1S/C19H17N3OS/c1-3-14-6-5-7-16-17(14)22(4-2)19(24-16)21-18(23)15-10-8-13(12-20)9-11-15/h5-11H,3-4H2,1-2H3/b21-19-
InChIKeyVNRCBDAZNITARX-VZCXRCSSSA-N
MW335.43 g/mol
LogP3.90
Rot. Bonds3

About 4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide

4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 40691093) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID40691093
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCc1cccc2s/c(=N\C(=O)c3ccc(C#N)cc3)n(CC)c12
InChIInChI=1S/C19H17N3OS/c1-3-14-6-5-7-16-17(14)22(4-2)19(24-16)21-18(23)15-10-8-13(12-20)9-11-15/h5-11H,3-4H2,1-2H3/b21-19-
InChIKeyVNRCBDAZNITARX-VZCXRCSSSA-N
XLogP3.90
TPSA58.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide
CID 41260572
4-cyano-N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40697470
4-cyano-N-(3-ethyl-4,6-difluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 2151067
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
CID 41235527
4-cyano-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 4252332
4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43947437
4-cyano-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 4100552
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 43947598
4-cyano-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41048065
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-oxochromene-3-carboxamide
CID 7154071
N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41235566
N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 4195493

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 40691093) is 4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide is CCc1cccc2s/c(=N\C(=O)c3ccc(C#N)cc3)n(CC)c12.
What is the InChIKey of 4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is VNRCBDAZNITARX-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-3-14-6-5-7-16-17(14)22(4-2)19(24-16)21-18(23)15-10-8-13(12-20)9-11-15/h5-11H,3-4H2,1-2H3/b21-19-.
What are the key properties of 4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 335.43 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 40691093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).