[5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine

C10H17N3S — CID 115027578

IUPAC[5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine
SMILESCCc1[nH]c(CN)nc1C1CCCS1
InChIInChI=1S/C10H17N3S/c1-2-7-10(8-4-3-5-14-8)13-9(6-11)12-7/h8H,2-6,11H2,1H3,(H,12,13)
InChIKeyCIQPYKMTRLZDCN-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.00
Rot. Bonds3

About [5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine

[5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine (PubChem CID 115027578) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is [5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine
PubChem CID115027578
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name[5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine
SMILESCCc1[nH]c(CN)nc1C1CCCS1
InChIInChI=1S/C10H17N3S/c1-2-7-10(8-4-3-5-14-8)13-9(6-11)12-7/h8H,2-6,11H2,1H3,(H,12,13)
InChIKeyCIQPYKMTRLZDCN-UHFFFAOYSA-N
XLogP2.00
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine?
The IUPAC name of [5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine (CID 115027578) is [5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine is CCc1[nH]c(CN)nc1C1CCCS1.
What is the InChIKey of [5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine?
The InChIKey is CIQPYKMTRLZDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-7-10(8-4-3-5-14-8)13-9(6-11)12-7/h8H,2-6,11H2,1H3,(H,12,13).
What are the key properties of [5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine?
[5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine has a molecular weight of 211.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 115027578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).