4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C21H25N3OS — CID 40885439

IUPAC4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCN(CC)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2C)cc1
InChIInChI=1S/C21H25N3OS/c1-6-24(7-2)17-10-8-16(9-11-17)20(25)22-21-23(5)18-13-14(3)12-15(4)19(18)26-21/h8-13H,6-7H2,1-5H3/b22-21-
InChIKeyIMKAFONWBVDKMT-DQRAZIAOSA-N
MW367.52 g/mol
LogP4.44
Rot. Bonds4

About 4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 40885439) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID40885439
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCCN(CC)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2C)cc1
InChIInChI=1S/C21H25N3OS/c1-6-24(7-2)17-10-8-16(9-11-17)20(25)22-21-23(5)18-13-14(3)12-15(4)19(18)26-21/h8-13H,6-7H2,1-5H3/b22-21-
InChIKeyIMKAFONWBVDKMT-DQRAZIAOSA-N
XLogP4.44
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dipropylsulfamoyl)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4284456
2,4-dimethyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885536
4-[cyclohexyl(ethyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 42523056
N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)propanamide
CID 7152654
3-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885113
4-[cyclopentyl(methyl)sulfamoyl]-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43947402
4-cyano-N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41136763
5-chloro-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 2159345
4-(diethylsulfamoyl)-N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]benzamide
CID 40886331
4-chloro-N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41125930
N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 41125927
N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-4-propan-2-yloxybenzamide
CID 41203294

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 40885439) is 4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is CCN(CC)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2C)cc1.
What is the InChIKey of 4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is IMKAFONWBVDKMT-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-6-24(7-2)17-10-8-16(9-11-17)20(25)22-21-23(5)18-13-14(3)12-15(4)19(18)26-21/h8-13H,6-7H2,1-5H3/b22-21-.
What are the key properties of 4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 367.52 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 40885439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).