5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine

C9H16N4S — CID 66278132

IUPAC5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCC1(CNc2nc(N)ns2)CCCC1
InChIInChI=1S/C9H16N4S/c1-9(4-2-3-5-9)6-11-8-12-7(10)13-14-8/h2-6H2,1H3,(H3,10,11,12,13)
InChIKeyQPJBOYSLJXKDGA-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.11
Rot. Bonds3

About 5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine

5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278132) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278132
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCC1(CNc2nc(N)ns2)CCCC1
InChIInChI=1S/C9H16N4S/c1-9(4-2-3-5-9)6-11-8-12-7(10)13-14-8/h2-6H2,1H3,(H3,10,11,12,13)
InChIKeyQPJBOYSLJXKDGA-UHFFFAOYSA-N
XLogP2.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine (CID 66278132) is 5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine is CC1(CNc2nc(N)ns2)CCCC1.
What is the InChIKey of 5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is QPJBOYSLJXKDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-9(4-2-3-5-9)6-11-8-12-7(10)13-14-8/h2-6H2,1H3,(H3,10,11,12,13).
What are the key properties of 5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 212.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).