[2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine

C8H13N3S — CID 80637084

IUPAC[2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(C2CCCS2)[nH]1
InChIInChI=1S/C8H13N3S/c9-4-6-5-10-8(11-6)7-2-1-3-12-7/h5,7H,1-4,9H2,(H,10,11)
InChIKeyIRZDSQHQEKMYEO-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.44
Rot. Bonds2

About [2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine

[2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine (PubChem CID 80637084) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is [2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine
PubChem CID80637084
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name[2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(C2CCCS2)[nH]1
InChIInChI=1S/C8H13N3S/c9-4-6-5-10-8(11-6)7-2-1-3-12-7/h5,7H,1-4,9H2,(H,10,11)
InChIKeyIRZDSQHQEKMYEO-UHFFFAOYSA-N
XLogP1.44
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine (CID 80637084) is [2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine is NCc1cnc(C2CCCS2)[nH]1.
What is the InChIKey of [2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine?
The InChIKey is IRZDSQHQEKMYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-4-6-5-10-8(11-6)7-2-1-3-12-7/h5,7H,1-4,9H2,(H,10,11).
What are the key properties of [2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine?
[2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine has a molecular weight of 183.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 80637084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).