[2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine

C12H22N2OS — CID 116730707

IUPAC[2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
SMILESCCCC(OCC)c1nc(CC)c(CN)s1
InChIInChI=1S/C12H22N2OS/c1-4-7-10(15-6-3)12-14-9(5-2)11(8-13)16-12/h10H,4-8,13H2,1-3H3
InChIKeyNRAWLYRTXPPMKQ-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.04
Rot. Bonds7

About [2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine

[2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine (PubChem CID 116730707) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is [2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
PubChem CID116730707
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name[2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
SMILESCCCC(OCC)c1nc(CC)c(CN)s1
InChIInChI=1S/C12H22N2OS/c1-4-7-10(15-6-3)12-14-9(5-2)11(8-13)16-12/h10H,4-8,13H2,1-3H3
InChIKeyNRAWLYRTXPPMKQ-UHFFFAOYSA-N
XLogP3.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362116
2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 116705469
[4-ethyl-2-(1-methoxyethyl)-1,3-thiazol-5-yl]methanamine
CID 104840940
1-[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114368301
N-[[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369122
[2-(1-ethoxyethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362256
[2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361227
[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361772
N-[[2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366676
[2-(1-ethoxy-2-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362210
(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine
CID 82431364
N-[[2-(1-ethoxyethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 113459642

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine (CID 116730707) is [2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine is CCCC(OCC)c1nc(CC)c(CN)s1.
What is the InChIKey of [2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is NRAWLYRTXPPMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-7-10(15-6-3)12-14-9(5-2)11(8-13)16-12/h10H,4-8,13H2,1-3H3.
What are the key properties of [2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine?
[2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 242.39 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxybutyl)-4-ethyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 116730707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).