5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine

C7H11N3S — CID 131172348

IUPAC5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine
SMILESCC1(Cc2nc(N)ns2)CC1
InChIInChI=1S/C7H11N3S/c1-7(2-3-7)4-5-9-6(8)10-11-5/h2-4H2,1H3,(H2,8,10)
InChIKeyQRHFMOYFMZIUEL-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.46
Rot. Bonds2

About 5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine

5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine (PubChem CID 131172348) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine
PubChem CID131172348
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine
SMILESCC1(Cc2nc(N)ns2)CC1
InChIInChI=1S/C7H11N3S/c1-7(2-3-7)4-5-9-6(8)10-11-5/h2-4H2,1H3,(H2,8,10)
InChIKeyQRHFMOYFMZIUEL-UHFFFAOYSA-N
XLogP1.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine (CID 131172348) is 5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine is CC1(Cc2nc(N)ns2)CC1.
What is the InChIKey of 5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine?
The InChIKey is QRHFMOYFMZIUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-7(2-3-7)4-5-9-6(8)10-11-5/h2-4H2,1H3,(H2,8,10).
What are the key properties of 5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine?
5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine has a molecular weight of 169.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylcyclopropyl)methyl]-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 131172348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).