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

C12H22N2OS — CID 106045200

IUPACN-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCCCOCCNCCc1csc(C)n1
InChIInChI=1S/C12H22N2OS/c1-3-4-8-15-9-7-13-6-5-12-10-16-11(2)14-12/h10,13H,3-9H2,1-2H3
InChIKeyBNZJFLOCMKREJW-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.40
Rot. Bonds9

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

N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 106045200) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID106045200
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCCCCOCCNCCc1csc(C)n1
InChIInChI=1S/C12H22N2OS/c1-3-4-8-15-9-7-13-6-5-12-10-16-11(2)14-12/h10,13H,3-9H2,1-2H3
InChIKeyBNZJFLOCMKREJW-UHFFFAOYSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.40
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-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine
CID 106045197
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 106045227
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine
CID 82940582
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
methyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanoate
CID 106035988
1-ethoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 106045106
2,2-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106045224
2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104931936
1-(4-ethoxybutyl)-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933992
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 106045272
5-ethoxy-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-2-amine
CID 105159138
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106045268

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 106045200) is N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is CCCCOCCNCCc1csc(C)n1.
What is the InChIKey of N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is BNZJFLOCMKREJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-3-4-8-15-9-7-13-6-5-12-10-16-11(2)14-12/h10,13H,3-9H2,1-2H3.
What are the key properties of N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 242.39 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 106045200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).