N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine

C12H22N2OS — CID 62443422

IUPACN-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
SMILESCNCCCCCOCCc1scnc1C
InChIInChI=1S/C12H22N2OS/c1-11-12(16-10-14-11)6-9-15-8-5-3-4-7-13-2/h10,13H,3-9H2,1-2H3
InChIKeyOULJRPBZWBQENW-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.40
Rot. Bonds9

About N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine

N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine (PubChem CID 62443422) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
PubChem CID62443422
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
SMILESCNCCCCCOCCc1scnc1C
InChIInChI=1S/C12H22N2OS/c1-11-12(16-10-14-11)6-9-15-8-5-3-4-7-13-2/h10,13H,3-9H2,1-2H3
InChIKeyOULJRPBZWBQENW-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

4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine
CID 55077695
2,2-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexanenitrile
CID 106710371
3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propanenitrile
CID 24697504
3-ethoxy-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 62070805
2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline
CID 43174424
2,2-dimethyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentanenitrile
CID 65257542
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 115652998
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1-phenylbutan-1-one
CID 62030778
2,2-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butan-1-amine
CID 65248861
N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 64687165

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine?
The IUPAC name of N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine (CID 62443422) is N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine.
What is the SMILES notation for N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine?
The canonical SMILES for N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine is CNCCCCCOCCc1scnc1C.
What is the InChIKey of N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine?
The InChIKey is OULJRPBZWBQENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-11-12(16-10-14-11)6-9-15-8-5-3-4-7-13-2/h10,13H,3-9H2,1-2H3.
What are the key properties of N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine?
N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine 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-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine is sourced from PubChem (CID 62443422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).