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

C20H23N3OS — CID 41260572

IUPACN-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide
SMILESCCc1cccc2s/c(=N\C(=O)c3ccc(N(C)C)cc3)n(CC)c12
InChIInChI=1S/C20H23N3OS/c1-5-14-8-7-9-17-18(14)23(6-2)20(25-17)21-19(24)15-10-12-16(13-11-15)22(3)4/h7-13H,5-6H2,1-4H3/b21-20-
InChIKeyGVKNBDCKCLNWAB-MRCUWXFGSA-N
MW353.49 g/mol
LogP4.09
Rot. Bonds4

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

N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide (PubChem CID 41260572) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide
PubChem CID41260572
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide
SMILESCCc1cccc2s/c(=N\C(=O)c3ccc(N(C)C)cc3)n(CC)c12
InChIInChI=1S/C20H23N3OS/c1-5-14-8-7-9-17-18(14)23(6-2)20(25-17)21-19(24)15-10-12-16(13-11-15)22(3)4/h7-13H,5-6H2,1-4H3/b21-20-
InChIKeyGVKNBDCKCLNWAB-MRCUWXFGSA-N
XLogP4.09
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40691093
4-[cyclopentyl(methyl)sulfamoyl]-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43947437
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-[furan-2-ylmethyl(methyl)sulfamoyl]benzamide
CID 43947598
methyl 2-[4-chloro-2-[4-(dimethylamino)benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 7153786
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
CID 41235527
ethyl 2-[2-[4-(dimethylamino)benzoyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetate
CID 4111912
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 7154092
4-(dimethylamino)-N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43984153
3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5222427
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 N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide?
The IUPAC name of N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide (CID 41260572) is N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide is CCc1cccc2s/c(=N\C(=O)c3ccc(N(C)C)cc3)n(CC)c12.
What is the InChIKey of N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide?
The InChIKey is GVKNBDCKCLNWAB-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-5-14-8-7-9-17-18(14)23(6-2)20(25-17)21-19(24)15-10-12-16(13-11-15)22(3)4/h7-13H,5-6H2,1-4H3/b21-20-.
What are the key properties of N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide?
N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide has a molecular weight of 353.49 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-4-(dimethylamino)benzamide is sourced from PubChem (CID 41260572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).