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

C14H26N2OS — CID 114362116

IUPAC[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCC(OCC)c1nc(CC(C)C)c(CN)s1
InChIInChI=1S/C14H26N2OS/c1-5-7-12(17-6-2)14-16-11(8-10(3)4)13(9-15)18-14/h10,12H,5-9,15H2,1-4H3
InChIKeyNFPYYQPMGYTDTE-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.68
Rot. Bonds8

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

[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 114362116) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is [2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
PubChem CID114362116
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
SMILESCCCC(OCC)c1nc(CC(C)C)c(CN)s1
InChIInChI=1S/C14H26N2OS/c1-5-7-12(17-6-2)14-16-11(8-10(3)4)13(9-15)18-14/h10,12H,5-9,15H2,1-4H3
InChIKeyNFPYYQPMGYTDTE-UHFFFAOYSA-N
XLogP3.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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
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-methylpropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362210
[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
[2-(1-ethoxy-2,2-dimethylpropyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361227
2-(1-ethoxybutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 116705469
(2-propan-2-yl-4-propyl-1,3-thiazol-5-yl)methanamine
CID 82431364
[4-(2-methylpropyl)-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114362112
N-[[2-(1-ethoxybutyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114366676

Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine (CID 114362116) is [2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is CCCC(OCC)c1nc(CC(C)C)c(CN)s1.
What is the InChIKey of [2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is NFPYYQPMGYTDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-5-7-12(17-6-2)14-16-11(8-10(3)4)13(9-15)18-14/h10,12H,5-9,15H2,1-4H3.
What are the key properties of [2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine?
[2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 270.44 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxybutyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114362116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).