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

C16H20N2OS — CID 115953912

IUPACN-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCc1nc(COc2c(C)cccc2CNC2CC2)cs1
InChIInChI=1S/C16H20N2OS/c1-11-4-3-5-13(8-17-14-6-7-14)16(11)19-9-15-10-20-12(2)18-15/h3-5,10,14,17H,6-9H2,1-2H3
InChIKeyZVCYCNYLBDLNPD-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.59
Rot. Bonds6

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

N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 115953912) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID115953912
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
SMILESCc1nc(COc2c(C)cccc2CNC2CC2)cs1
InChIInChI=1S/C16H20N2OS/c1-11-4-3-5-13(8-17-14-6-7-14)16(11)19-9-15-10-20-12(2)18-15/h3-5,10,14,17H,6-9H2,1-2H3
InChIKeyZVCYCNYLBDLNPD-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 63326800
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978
N-[[2-(ethoxymethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610024
1-[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]butan-2-amine
CID 115958268
N-[[2-[(3-chloro-4-pyridinyl)methoxy]-3-methylphenyl]methyl]cyclopropanamine
CID 115953990
3-[2-[(cyclopropylamino)methyl]-6-methylphenoxy]propane-1,2-diol
CID 112609987
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093
N-[[3-methyl-2-(2-thiophen-2-ylethoxy)phenyl]methyl]cyclopropanamine
CID 115953954
N-[[2-(cyclobutylmethoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112609988
N-[[3-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 112609567
N-[[2-(3-ethoxypropoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 112610027
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine (CID 115953912) is N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine is Cc1nc(COc2c(C)cccc2CNC2CC2)cs1.
What is the InChIKey of N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is ZVCYCNYLBDLNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-11-4-3-5-13(8-17-14-6-7-14)16(11)19-9-15-10-20-12(2)18-15/h3-5,10,14,17H,6-9H2,1-2H3.
What are the key properties of N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 288.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 115953912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).