N-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide

C12H14N4OS — CID 91948926

IUPACN-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc2nsnc2c1
InChIInChI=1S/C12H14N4OS/c17-12(14-9-4-2-1-3-5-9)8-6-10-11(13-7-8)16-18-15-10/h6-7,9H,1-5H2,(H,14,17)
InChIKeyAFHYTNYHLKROFG-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.15
Rot. Bonds2

About N-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide

N-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide (PubChem CID 91948926) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
PubChem CID91948926
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc2nsnc2c1
InChIInChI=1S/C12H14N4OS/c17-12(14-9-4-2-1-3-5-9)8-6-10-11(13-7-8)16-18-15-10/h6-7,9H,1-5H2,(H,14,17)
InChIKeyAFHYTNYHLKROFG-UHFFFAOYSA-N
XLogP2.15
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of N-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide (CID 91948926) is N-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide is O=C(NC1CCCCC1)c1cnc2nsnc2c1.
What is the InChIKey of N-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is AFHYTNYHLKROFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c17-12(14-9-4-2-1-3-5-9)8-6-10-11(13-7-8)16-18-15-10/h6-7,9H,1-5H2,(H,14,17).
What are the key properties of N-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
N-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 91948926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).