4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

C19H21N3OS — CID 5072919

IUPAC4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C19H21N3OS/c1-4-22(5-2)15-11-9-14(10-12-15)18(23)21-19-20-17-13(3)7-6-8-16(17)24-19/h6-12H,4-5H2,1-3H3,(H,20,21,23)
InChIKeyWARCJJCDCZLDDA-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.70
Rot. Bonds5

About 4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide

4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 5072919) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID5072919
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCCN(CC)c1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C19H21N3OS/c1-4-22(5-2)15-11-9-14(10-12-15)18(23)21-19-20-17-13(3)7-6-8-16(17)24-19/h6-12H,4-5H2,1-3H3,(H,20,21,23)
InChIKeyWARCJJCDCZLDDA-UHFFFAOYSA-N
XLogP4.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
4-butyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4551607
4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7579181
4-(diethylamino)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7152602
4-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7152616
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7202698
4-[bis(prop-2-enyl)sulfamoyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4215772
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608180
2-benzamido-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16914998
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide (CID 5072919) is 4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is CCN(CC)c1ccc(C(=O)Nc2nc3c(C)cccc3s2)cc1.
What is the InChIKey of 4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is WARCJJCDCZLDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-4-22(5-2)15-11-9-14(10-12-15)18(23)21-19-20-17-13(3)7-6-8-16(17)24-19/h6-12H,4-5H2,1-3H3,(H,20,21,23).
What are the key properties of 4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide?
4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 339.46 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 5072919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).