N-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide

C15H19N3OS — CID 23604368

IUPACN-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide
SMILESCC1CCCC(NC(=O)c2ccc3snnc3c2)C1C
InChIInChI=1S/C15H19N3OS/c1-9-4-3-5-12(10(9)2)16-15(19)11-6-7-14-13(8-11)17-18-20-14/h6-10,12H,3-5H2,1-2H3,(H,16,19)
InChIKeyORHBPCATHKVYRW-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.25
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide

N-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 23604368) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID23604368
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide
SMILESCC1CCCC(NC(=O)c2ccc3snnc3c2)C1C
InChIInChI=1S/C15H19N3OS/c1-9-4-3-5-12(10(9)2)16-15(19)11-6-7-14-13(8-11)17-18-20-14/h6-10,12H,3-5H2,1-2H3,(H,16,19)
InChIKeyORHBPCATHKVYRW-UHFFFAOYSA-N
XLogP3.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide (CID 23604368) is N-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide is CC1CCCC(NC(=O)c2ccc3snnc3c2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is ORHBPCATHKVYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-4-3-5-12(10(9)2)16-15(19)11-6-7-14-13(8-11)17-18-20-14/h6-10,12H,3-5H2,1-2H3,(H,16,19).
What are the key properties of N-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide?
N-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 23604368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).