N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide

C18H16N6OS — CID 55628812

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccc(-n4cnnn4)c(C)c3)sc2c1
InChIInChI=1S/C18H16N6OS/c1-10-6-12(3)16-15(7-10)26-18(20-16)21-17(25)13-4-5-14(11(2)8-13)24-9-19-22-23-24/h4-9H,1-3H3,(H,20,21,25)
InChIKeyXOLHXTMXJJRJGZ-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.45
Rot. Bonds3

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 55628812) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID55628812
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccc(-n4cnnn4)c(C)c3)sc2c1
InChIInChI=1S/C18H16N6OS/c1-10-6-12(3)16-15(7-10)26-18(20-16)21-17(25)13-4-5-14(11(2)8-13)24-9-19-22-23-24/h4-9H,1-3H3,(H,20,21,25)
InChIKeyXOLHXTMXJJRJGZ-UHFFFAOYSA-N
XLogP3.45
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3318366
3-bromo-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 1085238
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide
CID 2552481
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-3-nitrobenzamide
CID 747456
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7579392
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 4854567
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 1355448
4-amino-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 43004313
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfonylbenzamide
CID 41147823
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 2460785
4-(4-acetylpiperazin-1-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 46665576

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide (CID 55628812) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide is Cc1cc(C)c2nc(NC(=O)c3ccc(-n4cnnn4)c(C)c3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is XOLHXTMXJJRJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c1-10-6-12(3)16-15(7-10)26-18(20-16)21-17(25)13-4-5-14(11(2)8-13)24-9-19-22-23-24/h4-9H,1-3H3,(H,20,21,25).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 364.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55628812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).