N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine

C12H16N4S — CID 69377507

IUPACN-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine
SMILESc1nc2snnc2cc1CNC1CCCCC1
InChIInChI=1S/C12H16N4S/c1-2-4-10(5-3-1)13-7-9-6-11-12(14-8-9)17-16-15-11/h6,8,10,13H,1-5,7H2
InChIKeyIIHUVKBNRHSDHC-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.51
Rot. Bonds3

About N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine

N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine (PubChem CID 69377507) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine
PubChem CID69377507
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine
SMILESc1nc2snnc2cc1CNC1CCCCC1
InChIInChI=1S/C12H16N4S/c1-2-4-10(5-3-1)13-7-9-6-11-12(14-8-9)17-16-15-11/h6,8,10,13H,1-5,7H2
InChIKeyIIHUVKBNRHSDHC-UHFFFAOYSA-N
XLogP2.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Phenyl-[1,2]thiazolo[4,3-b]pyridin-3-amine
CID 90467780
[1,2,3]Thiadiazolo[5,4-b]pyridin-7-amine
CID 285997
Thiadiazolopyridine
CID 12452794
(3S,4R)-3-Fluoro-4-[([1,2,3]thiadiazolo[5,4-b]pyridine-6-ylmethyl)-amino]-piperidine
CID 11219349
3-fluoro-N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)piperidin-4-amine
CID 21948939
6-(4-Fluorophenyl)-3-(1-methylpiperazin-2-yl)-[1,2]thiazolo[4,3-b]pyridine
CID 90467779
4-(Thiazolo[5,4-b]pyridin-2-yl)cyclohexan-1-amine
CID 21882570
2-[6-(Aminomethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]aniline
CID 57664503
2-(Thiazolo[5,4-b]pyridin-2-yl)aniline
CID 58101468
N-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
CID 60148780
1-([1,2]Thiazolo[4,5-b]pyridin-3-yl)propane-1,3-diamine
CID 68461011
1-([1,2]Thiazolo[5,4-b]pyridin-3-yl)propane-1,3-diamine
CID 68461645

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine?
The IUPAC name of N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine (CID 69377507) is N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine is c1nc2snnc2cc1CNC1CCCCC1.
What is the InChIKey of N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine?
The InChIKey is IIHUVKBNRHSDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-2-4-10(5-3-1)13-7-9-6-11-12(14-8-9)17-16-15-11/h6,8,10,13H,1-5,7H2.
What are the key properties of N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine?
N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine has a molecular weight of 248.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazolo[5,4-b]pyridin-6-ylmethyl)cyclohexanamine is sourced from PubChem (CID 69377507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).