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

C14H26N2OS — CID 114362210

IUPAC[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOC(c1nc(CC(C)C)c(CN)s1)C(C)C
InChIInChI=1S/C14H26N2OS/c1-6-17-13(10(4)5)14-16-11(7-9(2)3)12(8-15)18-14/h9-10,13H,6-8,15H2,1-5H3
InChIKeyAVBXXTQRRBWCBL-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.53
Rot. Bonds7

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

[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362210) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is [2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362210
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOC(c1nc(CC(C)C)c(CN)s1)C(C)C
InChIInChI=1S/C14H26N2OS/c1-6-17-13(10(4)5)14-16-11(7-9(2)3)12(8-15)18-14/h9-10,13H,6-8,15H2,1-5H3
InChIKeyAVBXXTQRRBWCBL-UHFFFAOYSA-N
XLogP3.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362256
N-[[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368736
[2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116730526
[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
[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361772
N-[[2-(1-ethoxy-2-methylpropyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114364038
[2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361227
[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine
CID 116727879
[2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 116730707
1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368301
[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine
CID 104840940

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (CID 114362210) is [2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is CCOC(c1nc(CC(C)C)c(CN)s1)C(C)C.
What is the InChIKey of [2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is AVBXXTQRRBWCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-6-17-13(10(4)5)14-16-11(7-9(2)3)12(8-15)18-14/h9-10,13H,6-8,15H2,1-5H3.
What are the key properties of [2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 270.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).