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

C12H20N2OS — CID 103920413

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
SMILESCc1nc(CCNCC2CCCOC2)cs1
InChIInChI=1S/C12H20N2OS/c1-10-14-12(9-16-10)4-5-13-7-11-3-2-6-15-8-11/h9,11,13H,2-8H2,1H3
InChIKeyZQFXLVDQLHQNSM-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.01
Rot. Bonds5

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

2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine (PubChem CID 103920413) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
PubChem CID103920413
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
SMILESCc1nc(CCNCC2CCCOC2)cs1
InChIInChI=1S/C12H20N2OS/c1-10-14-12(9-16-10)4-5-13-7-11-3-2-6-15-8-11/h9,11,13H,2-8H2,1H3
InChIKeyZQFXLVDQLHQNSM-UHFFFAOYSA-N
XLogP2.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methylcyclohexyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103883909
N-(oxan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63831696
1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986225
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 115592245
N-(oxolan-3-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63830252
2-(1-methylpyrazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 80682621
N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106052624
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine
CID 119129675
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclopentan-1-ol
CID 106045358
1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 119114246
ethyl 4-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116697927

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine (CID 103920413) is 2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine is Cc1nc(CCNCC2CCCOC2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine?
The InChIKey is ZQFXLVDQLHQNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-14-12(9-16-10)4-5-13-7-11-3-2-6-15-8-11/h9,11,13H,2-8H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine?
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine is sourced from PubChem (CID 103920413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).