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

C11H20N2OS — CID 115652998

IUPAC5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
SMILESCOCCCCCNCc1scnc1C
InChIInChI=1S/C11H20N2OS/c1-10-11(15-9-13-10)8-12-6-4-3-5-7-14-2/h9,12H,3-8H2,1-2H3
InChIKeyUOOBTYAGFOHCMX-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.36
Rot. Bonds8

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

5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine (PubChem CID 115652998) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
PubChem CID115652998
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
SMILESCOCCCCCNCc1scnc1C
InChIInChI=1S/C11H20N2OS/c1-10-11(15-9-13-10)8-12-6-4-3-5-7-14-2/h9,12H,3-8H2,1-2H3
InChIKeyUOOBTYAGFOHCMX-UHFFFAOYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.36
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

3-cyclopropyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115654281
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propylethane-1,2-diamine
CID 63283757
1-(3-methoxypropyl)-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110976101
2-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl carbamate
CID 83202397
5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpentan-1-amine
CID 55077695
5-methoxy-N-[(3-methoxythiophen-2-yl)methyl]pentan-1-amine
CID 115710643
N-methyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pentan-1-amine
CID 62443422
2-tert-butylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115653284
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
tert-butyl N-methyl-N-[3-[(4-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
CID 103699064
N'-ethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylethane-1,2-diamine
CID 115671365
2-(2-methylpropylsulfanyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115768977

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine?
The IUPAC name of 5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine (CID 115652998) is 5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine.
What is the SMILES notation for 5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine?
The canonical SMILES for 5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine is COCCCCCNCc1scnc1C.
What is the InChIKey of 5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine?
The InChIKey is UOOBTYAGFOHCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-10-11(15-9-13-10)8-12-6-4-3-5-7-14-2/h9,12H,3-8H2,1-2H3.
What are the key properties of 5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine?
5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine has a molecular weight of 228.36 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine is sourced from PubChem (CID 115652998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).