2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine

C12H20N2OS — CID 66026042

IUPAC2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
SMILESCOCCNCC1(Cc2cnc(C)s2)CC1
InChIInChI=1S/C12H20N2OS/c1-10-14-8-11(16-10)7-12(3-4-12)9-13-5-6-15-2/h8,13H,3-7,9H2,1-2H3
InChIKeyCSJKBASCVGXECU-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.01
Rot. Bonds7

About 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine

2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine (PubChem CID 66026042) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
PubChem CID66026042
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
SMILESCOCCNCC1(Cc2cnc(C)s2)CC1
InChIInChI=1S/C12H20N2OS/c1-10-14-8-11(16-10)7-12(3-4-12)9-13-5-6-15-2/h8,13H,3-7,9H2,1-2H3
InChIKeyCSJKBASCVGXECU-UHFFFAOYSA-N
XLogP2.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.01
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-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
CID 63019110
2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine
CID 66026043
N-(2-methoxyethyl)-2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 63020328
2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 62725406
[4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
CID 65389989
5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole
CID 79451564
5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole
CID 66036030
2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 62905761
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488
[4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methanol
CID 66025414
N-(2-methoxyethyl)-2-(4-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 79430683
2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62723981

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine (CID 66026042) is 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine is COCCNCC1(Cc2cnc(C)s2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine?
The InChIKey is CSJKBASCVGXECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-14-8-11(16-10)7-12(3-4-12)9-13-5-6-15-2/h8,13H,3-7,9H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine?
2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 66026042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).