N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

C8H14N2OS — CID 64687165

IUPACN-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCONCCc1scnc1C
InChIInChI=1S/C8H14N2OS/c1-3-11-10-5-4-8-7(2)9-6-12-8/h6,10H,3-5H2,1-2H3
InChIKeyHXESARSCWLITIP-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.54
Rot. Bonds5

About N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 64687165) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID64687165
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC NameN-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCCONCCc1scnc1C
InChIInChI=1S/C8H14N2OS/c1-3-11-10-5-4-8-7(2)9-6-12-8/h6,10H,3-5H2,1-2H3
InChIKeyHXESARSCWLITIP-UHFFFAOYSA-N
XLogP1.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 62070805
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718462
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 62069606
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 62635246
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
N-(2-but-3-enoxyethyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 106401742
5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine
CID 55077695
3-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-amine
CID 107424127
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 64687165) is N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is CCONCCc1scnc1C.
What is the InChIKey of N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is HXESARSCWLITIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-11-10-5-4-8-7(2)9-6-12-8/h6,10H,3-5H2,1-2H3.
What are the key properties of N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 186.28 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 64687165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).