N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine

C9H15N3OS — CID 65268330

IUPACN-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOC1CCCC1Nc1nc(C)ns1
InChIInChI=1S/C9H15N3OS/c1-6-10-9(14-12-6)11-7-4-3-5-8(7)13-2/h7-8H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyOHSNUOPNULDSQG-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.83
Rot. Bonds3

About N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine

N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268330) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65268330
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOC1CCCC1Nc1nc(C)ns1
InChIInChI=1S/C9H15N3OS/c1-6-10-9(14-12-6)11-7-4-3-5-8(7)13-2/h7-8H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyOHSNUOPNULDSQG-UHFFFAOYSA-N
XLogP1.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 65268330) is N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine is COC1CCCC1Nc1nc(C)ns1.
What is the InChIKey of N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is OHSNUOPNULDSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6-10-9(14-12-6)11-7-4-3-5-8(7)13-2/h7-8H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 213.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).