3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine

C9H15N3OS — CID 116744798

IUPAC3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCOC1(c2nsc(N)n2)CCCCC1
InChIInChI=1S/C9H15N3OS/c1-13-9(5-3-2-4-6-9)7-11-8(10)14-12-7/h2-6H2,1H3,(H2,10,11,12)
InChIKeyJMURALBQCBCCIK-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.93
Rot. Bonds2

About 3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine

3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine (PubChem CID 116744798) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine
PubChem CID116744798
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCOC1(c2nsc(N)n2)CCCCC1
InChIInChI=1S/C9H15N3OS/c1-13-9(5-3-2-4-6-9)7-11-8(10)14-12-7/h2-6H2,1H3,(H2,10,11,12)
InChIKeyJMURALBQCBCCIK-UHFFFAOYSA-N
XLogP1.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-(1-methoxycyclobutyl)-1,2,4-thiadiazole
CID 102618226
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
CID 116745969
2-(1-methoxycycloheptyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 116776251
2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775665
2-(1-methoxycycloheptyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116775684
6-ethyl-2-(1-methoxycyclohexyl)-5-methylpyrimidin-4-amine
CID 116776328
5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine
CID 116729345
4-ethyl-6-(1-methoxycyclopentyl)-1,3,5-triazin-2-amine
CID 104612085
5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine
CID 116746046
2-(1-methoxycyclobutyl)pyrimidin-5-amine
CID 116705146

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine (CID 116744798) is 3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine is COC1(c2nsc(N)n2)CCCCC1.
What is the InChIKey of 3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JMURALBQCBCCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-13-9(5-3-2-4-6-9)7-11-8(10)14-12-7/h2-6H2,1H3,(H2,10,11,12).
What are the key properties of 3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine?
3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 213.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycyclohexyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 116744798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).