3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide

C18H19N3OS — CID 121082978

IUPAC3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2sc(NC(=O)c3cccc(N(C)C)c3)nc2c1C
InChIInChI=1S/C18H19N3OS/c1-11-8-9-15-16(12(11)2)19-18(23-15)20-17(22)13-6-5-7-14(10-13)21(3)4/h5-10H,1-4H3,(H,19,20,22)
InChIKeyMBTOXPZTERRUHG-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.23
Rot. Bonds3

About 3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide

3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 121082978) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID121082978
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2sc(NC(=O)c3cccc(N(C)C)c3)nc2c1C
InChIInChI=1S/C18H19N3OS/c1-11-8-9-15-16(12(11)2)19-18(23-15)20-17(22)13-6-5-7-14(10-13)21(3)4/h5-10H,1-4H3,(H,19,20,22)
InChIKeyMBTOXPZTERRUHG-UHFFFAOYSA-N
XLogP4.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 121082993
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 3386091
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 3329681
3-butoxy-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 3483911
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,3-diphenylquinoxaline-6-carboxamide
CID 43853093
2,6-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 35591092
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4583356
3-(dimethylamino)-N-(4,5-dimethylthiophen-2-yl)benzamide
CID 110660161
3-(dimethylamino)-N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]benzamide
CID 3464222
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 735318
4,5-dibromo-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 19219384
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 5139354

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide (CID 121082978) is 3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2sc(NC(=O)c3cccc(N(C)C)c3)nc2c1C.
What is the InChIKey of 3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is MBTOXPZTERRUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-11-8-9-15-16(12(11)2)19-18(23-15)20-17(22)13-6-5-7-14(10-13)21(3)4/h5-10H,1-4H3,(H,19,20,22).
What are the key properties of 3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide?
3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 325.44 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 121082978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).