4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine

C12H22N2OS — CID 105190197

IUPAC4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1scnc1C
InChIInChI=1S/C12H22N2OS/c1-4-7-13-11(6-5-8-15-3)12-10(2)14-9-16-12/h9,11,13H,4-8H2,1-3H3
InChIKeyNYOQYOCFGWMEIA-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.92
Rot. Bonds8

About 4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine

4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine (PubChem CID 105190197) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
PubChem CID105190197
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1scnc1C
InChIInChI=1S/C12H22N2OS/c1-4-7-13-11(6-5-8-15-3)12-10(2)14-9-16-12/h9,11,13H,4-8H2,1-3H3
InChIKeyNYOQYOCFGWMEIA-UHFFFAOYSA-N
XLogP2.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.92
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-ethyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-1-amine
CID 105125558
4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79989421
N-[2-ethoxy-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105165095
3-methylsulfonyl-1-(4-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 114984204
N-[2-(4-ethylphenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105101589
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)undecan-1-amine
CID 105138249
1-(4-methyl-1,3-thiazol-5-yl)pentylhydrazine
CID 105293729
1-(4-bromothiophen-2-yl)-4-methoxy-N-propylbutan-1-amine
CID 115633537
ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate
CID 102765869
4-methoxy-1-(4-methoxythiophen-2-yl)-N-propylbutan-1-amine
CID 105054949
N-[2-(2-bromophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105087531
N-[2-(5-chlorothiophen-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105135164

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine (CID 105190197) is 4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine is CCCNC(CCCOC)c1scnc1C.
What is the InChIKey of 4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine?
The InChIKey is NYOQYOCFGWMEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-7-13-11(6-5-8-15-3)12-10(2)14-9-16-12/h9,11,13H,4-8H2,1-3H3.
What are the key properties of 4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine?
4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine has a molecular weight of 242.39 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 105190197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).