N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine

C10H16N2OS — CID 82835172

IUPACN-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
SMILESc1nc(CCNCC2CCCO2)cs1
InChIInChI=1S/C10H16N2OS/c1-2-10(13-5-1)6-11-4-3-9-7-14-8-12-9/h7-8,10-11H,1-6H2
InChIKeyDBCYDBCLCQBCQK-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.45
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine

N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 82835172) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID82835172
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
SMILESc1nc(CCNCC2CCCO2)cs1
InChIInChI=1S/C10H16N2OS/c1-2-10(13-5-1)6-11-4-3-9-7-14-8-12-9/h7-8,10-11H,1-6H2
InChIKeyDBCYDBCLCQBCQK-UHFFFAOYSA-N
XLogP1.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine 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

1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 94177798
4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 95317070
N-(oxan-2-ylmethyl)-2-thiophen-3-ylethanamine
CID 60976116
N-[(1-methylpiperidin-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63829717
2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 54797397
N-(oxolan-2-ylmethyl)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethanamine
CID 82103423
2-(1,3-thiazol-4-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916054
2,3,3-trimethyl-4-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]cyclohexan-1-amine
CID 102627895
1-[2-[2-(1,3-thiazol-4-yl)ethylamino]ethyl]cyclobutan-1-amine
CID 79842978
2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 63829370
N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806763
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2904909

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine (CID 82835172) is N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine is c1nc(CCNCC2CCCO2)cs1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is DBCYDBCLCQBCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-2-10(13-5-1)6-11-4-3-9-7-14-8-12-9/h7-8,10-11H,1-6H2.
What are the key properties of N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine?
N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 212.32 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 82835172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).