N-(thietan-3-yl)-1H-imidazol-2-amine

C6H9N3S — CID 141181215

IUPACN-(thietan-3-yl)-1H-imidazol-2-amine
SMILESc1c[nH]c(NC2CSC2)n1
InChIInChI=1S/C6H9N3S/c1-2-8-6(7-1)9-5-3-10-4-5/h1-2,5H,3-4H2,(H2,7,8,9)
InChIKeyJOUKWUXCAGGJII-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.94
Rot. Bonds2

About N-(thietan-3-yl)-1H-imidazol-2-amine

N-(thietan-3-yl)-1H-imidazol-2-amine (PubChem CID 141181215) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is N-(thietan-3-yl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(thietan-3-yl)-1H-imidazol-2-amine
PubChem CID141181215
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC NameN-(thietan-3-yl)-1H-imidazol-2-amine
SMILESc1c[nH]c(NC2CSC2)n1
InChIInChI=1S/C6H9N3S/c1-2-8-6(7-1)9-5-3-10-4-5/h1-2,5H,3-4H2,(H2,7,8,9)
InChIKeyJOUKWUXCAGGJII-UHFFFAOYSA-N
XLogP0.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(thietan-3-yl)-1H-imidazol-2-amine?
The IUPAC name of N-(thietan-3-yl)-1H-imidazol-2-amine (CID 141181215) is N-(thietan-3-yl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(thietan-3-yl)-1H-imidazol-2-amine?
The canonical SMILES for N-(thietan-3-yl)-1H-imidazol-2-amine is c1c[nH]c(NC2CSC2)n1.
What is the InChIKey of N-(thietan-3-yl)-1H-imidazol-2-amine?
The InChIKey is JOUKWUXCAGGJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-2-8-6(7-1)9-5-3-10-4-5/h1-2,5H,3-4H2,(H2,7,8,9).
What are the key properties of N-(thietan-3-yl)-1H-imidazol-2-amine?
N-(thietan-3-yl)-1H-imidazol-2-amine has a molecular weight of 155.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thietan-3-yl)-1H-imidazol-2-amine is sourced from PubChem (CID 141181215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).