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

C9H15N3S — CID 115021194

IUPAC[5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine
SMILESCc1[nH]c(CN)nc1C1CCCS1
InChIInChI=1S/C9H15N3S/c1-6-9(7-3-2-4-13-7)12-8(5-10)11-6/h7H,2-5,10H2,1H3,(H,11,12)
InChIKeyIPSIUIHIEMYYEL-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.74
Rot. Bonds2

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

[5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine (PubChem CID 115021194) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is [5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine
PubChem CID115021194
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name[5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine
SMILESCc1[nH]c(CN)nc1C1CCCS1
InChIInChI=1S/C9H15N3S/c1-6-9(7-3-2-4-13-7)12-8(5-10)11-6/h7H,2-5,10H2,1H3,(H,11,12)
InChIKeyIPSIUIHIEMYYEL-UHFFFAOYSA-N
XLogP1.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-methyl-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

Related Compounds

[5-ethyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine
CID 115027578
[2-(thiolan-2-yl)-1H-imidazol-5-yl]methanamine
CID 80637084
6-methyl-5-propan-2-yl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
CID 106478041
2-bromo-5-methyl-4-(thiolan-2-yl)-1,3-oxazole
CID 115046254
[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 80620872
[4-propyl-2-(thiolan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361282
2-methyl-4-(thiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 115037360
6-ethyl-5-methyl-2-(thiolan-2-yl)-1H-pyrimidine-4-thione
CID 106478291
6-ethyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80637213
4-cyclopentyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 105493657
(4-cyclopentyl-2-methyl-1H-imidazol-5-yl)methanamine
CID 82373877
2-[(4-cyclobutyl-5-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 105493650

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine?
The IUPAC name of [5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine (CID 115021194) is [5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine is Cc1[nH]c(CN)nc1C1CCCS1.
What is the InChIKey of [5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine?
The InChIKey is IPSIUIHIEMYYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-6-9(7-3-2-4-13-7)12-8(5-10)11-6/h7H,2-5,10H2,1H3,(H,11,12).
What are the key properties of [5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine?
[5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine has a molecular weight of 197.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(thiolan-2-yl)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 115021194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).