[2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

C12H22N2OS — CID 114362256

IUPAC[2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOC(C)c1nc(CC(C)C)c(CN)s1
InChIInChI=1S/C12H22N2OS/c1-5-15-9(4)12-14-10(6-8(2)3)11(7-13)16-12/h8-9H,5-7,13H2,1-4H3
InChIKeyOBTGZHFWZXRAJH-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.90
Rot. Bonds6

About [2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

[2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362256) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is [2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362256
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name[2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOC(C)c1nc(CC(C)C)c(CN)s1
InChIInChI=1S/C12H22N2OS/c1-5-15-9(4)12-14-10(6-8(2)3)11(7-13)16-12/h8-9H,5-7,13H2,1-4H3
InChIKeyOBTGZHFWZXRAJH-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-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

[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362210
[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361772
[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362116
[2-[cyclohexyl(ethoxy)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362042
[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine
CID 104840940
[2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 116730707
N-[[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368736
1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368301
N-[[2-(1-ethoxyethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 113459642
[2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361227
N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369122
(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine
CID 82431364

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (CID 114362256) is [2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is CCOC(C)c1nc(CC(C)C)c(CN)s1.
What is the InChIKey of [2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is OBTGZHFWZXRAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-15-9(4)12-14-10(6-8(2)3)11(7-13)16-12/h8-9H,5-7,13H2,1-4H3.
What are the key properties of [2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
[2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 242.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).