N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine

C15H18N2O2S — CID 115978909

IUPACN-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(CNC2CC2)c(OCc2cncs2)c1
InChIInChI=1S/C15H18N2O2S/c1-18-13-5-2-11(7-17-12-3-4-12)15(6-13)19-9-14-8-16-10-20-14/h2,5-6,8,10,12,17H,3-4,7,9H2,1H3
InChIKeyLXZJIYIRUGXVDQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.98
Rot. Bonds7

About N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine

N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine (PubChem CID 115978909) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
PubChem CID115978909
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine
SMILESCOc1ccc(CNC2CC2)c(OCc2cncs2)c1
InChIInChI=1S/C15H18N2O2S/c1-18-13-5-2-11(7-17-12-3-4-12)15(6-13)19-9-14-8-16-10-20-14/h2,5-6,8,10,12,17H,3-4,7,9H2,1H3
InChIKeyLXZJIYIRUGXVDQ-UHFFFAOYSA-N
XLogP2.98
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640362
N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978954
5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641147
[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol
CID 112641042
2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643613
N-[[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115978924
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827
[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640291
N-[[2-(2-ethylbutoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 82927332
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641129
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 112640461
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine (CID 115978909) is N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine is COc1ccc(CNC2CC2)c(OCc2cncs2)c1.
What is the InChIKey of N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is LXZJIYIRUGXVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-18-13-5-2-11(7-17-12-3-4-12)15(6-13)19-9-14-8-16-10-20-14/h2,5-6,8,10,12,17H,3-4,7,9H2,1H3.
What are the key properties of N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine?
N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 290.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115978909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).