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

C12H12N6OS — CID 2552481

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide
SMILESCc1cc(C)c2nc(NC(=O)Cn3cnnn3)sc2c1
InChIInChI=1S/C12H12N6OS/c1-7-3-8(2)11-9(4-7)20-12(15-11)14-10(19)5-18-6-13-16-17-18/h3-4,6H,5H2,1-2H3,(H,14,15,19)
InChIKeyRNXHLSZUQLQCPG-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.54
Rot. Bonds3

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

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide (PubChem CID 2552481) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide
PubChem CID2552481
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide
SMILESCc1cc(C)c2nc(NC(=O)Cn3cnnn3)sc2c1
InChIInChI=1S/C12H12N6OS/c1-7-3-8(2)11-9(4-7)20-12(15-11)14-10(19)5-18-6-13-16-17-18/h3-4,6H,5H2,1-2H3,(H,14,15,19)
InChIKeyRNXHLSZUQLQCPG-UHFFFAOYSA-N
XLogP1.54
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 60546354
methyl N-[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47299822
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55628812
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methoxypropanamide
CID 35591150
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7544939
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfanylphenyl)acetamide
CID 8700897
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217
2-(4-bromophenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 7926926
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
CID 4617775
2-(2,5-dichlorophenyl)sulfanyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acetamide
CID 7547988
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 31509146
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080315

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide (CID 2552481) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide is Cc1cc(C)c2nc(NC(=O)Cn3cnnn3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is RNXHLSZUQLQCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c1-7-3-8(2)11-9(4-7)20-12(15-11)14-10(19)5-18-6-13-16-17-18/h3-4,6H,5H2,1-2H3,(H,14,15,19).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 288.34 g/mol, XLogP of 1.54, 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)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 2552481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).