N-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide

C14H17N3OS — CID 6623629

IUPACN-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide
SMILESCC1CCC(NC(=O)c2ccc3snnc3c2)CC1
InChIInChI=1S/C14H17N3OS/c1-9-2-5-11(6-3-9)15-14(18)10-4-7-13-12(8-10)16-17-19-13/h4,7-9,11H,2-3,5-6H2,1H3,(H,15,18)
InChIKeyUAAMSNDIULCJJA-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.00
Rot. Bonds2

About N-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide

N-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide (PubChem CID 6623629) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide
PubChem CID6623629
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide
SMILESCC1CCC(NC(=O)c2ccc3snnc3c2)CC1
InChIInChI=1S/C14H17N3OS/c1-9-2-5-11(6-3-9)15-14(18)10-4-7-13-12(8-10)16-17-19-13/h4,7-9,11H,2-3,5-6H2,1H3,(H,15,18)
InChIKeyUAAMSNDIULCJJA-UHFFFAOYSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide (CID 6623629) is N-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide is CC1CCC(NC(=O)c2ccc3snnc3c2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide?
The InChIKey is UAAMSNDIULCJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-2-5-11(6-3-9)15-14(18)10-4-7-13-12(8-10)16-17-19-13/h4,7-9,11H,2-3,5-6H2,1H3,(H,15,18).
What are the key properties of N-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide?
N-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-1,2,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 6623629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).