2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine

C11H18N2OS — CID 104771675

IUPAC2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine
SMILESCOCCNCC1CC1c1nc(C)cs1
InChIInChI=1S/C11H18N2OS/c1-8-7-15-11(13-8)10-5-9(10)6-12-3-4-14-2/h7,9-10,12H,3-6H2,1-2H3
InChIKeyZPYGWQNFRSTIFJ-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.79
Rot. Bonds6

About 2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine

2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine (PubChem CID 104771675) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine
PubChem CID104771675
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine
SMILESCOCCNCC1CC1c1nc(C)cs1
InChIInChI=1S/C11H18N2OS/c1-8-7-15-11(13-8)10-5-9(10)6-12-3-4-14-2/h7,9-10,12H,3-6H2,1-2H3
InChIKeyZPYGWQNFRSTIFJ-UHFFFAOYSA-N
XLogP1.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.79
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

2-methyl-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]propan-1-amine
CID 104771672
N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]-2-methoxyethanamine
CID 107125489
N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]cyclopropanamine
CID 104771669
N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62712121
2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine
CID 79234716
N-[[2-(1-benzothiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62713547
2-methoxy-N-[[2-(2-methoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62714428
N-[[2-(4-methyl-1,3-thiazol-2-yl)oxolan-3-yl]methyl]propan-1-amine
CID 104772225
N-(2-methoxyethyl)-3,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 64751515
2-methoxy-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]ethanamine
CID 62713194
N-(2-methoxyethyl)-N'-methyl-N'-(4-methyl-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 62585477
2-(5-bromo-2-ethylcyclohexyl)-4-methyl-1,3-thiazole
CID 165498217

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine (CID 104771675) is 2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine is COCCNCC1CC1c1nc(C)cs1.
What is the InChIKey of 2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine?
The InChIKey is ZPYGWQNFRSTIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-7-15-11(13-8)10-5-9(10)6-12-3-4-14-2/h7,9-10,12H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine?
2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine has a molecular weight of 226.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(4-methyl-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 104771675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).