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

C15H18N2OS — CID 61281646

IUPACN-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCCOc1cccc(-c2nc(CNC3CC3)cs2)c1
InChIInChI=1S/C15H18N2OS/c1-2-18-14-5-3-4-11(8-14)15-17-13(10-19-15)9-16-12-6-7-12/h3-5,8,10,12,16H,2,6-7,9H2,1H3
InChIKeyJGYUXBWNJFEQBA-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.46
Rot. Bonds6

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

N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 61281646) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID61281646
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCCOc1cccc(-c2nc(CNC3CC3)cs2)c1
InChIInChI=1S/C15H18N2OS/c1-2-18-14-5-3-4-11(8-14)15-17-13(10-19-15)9-16-12-6-7-12/h3-5,8,10,12,16H,2,6-7,9H2,1H3
InChIKeyJGYUXBWNJFEQBA-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

4-(bromomethyl)-2-(3-ethoxyphenyl)-1,3-thiazole
CID 82516061
N-[[2-[3-(difluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 115528210
3-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 94275533
N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine
CID 56662457
N-[[2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55039282
4-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclohexan-1-ol
CID 110878995
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281503
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine
CID 8558646
[2-(3-propoxyphenyl)-1,3-thiazol-4-yl]methanamine
CID 55078974
N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 82740689
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 79980823
N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62336369

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 61281646) is N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is CCOc1cccc(-c2nc(CNC3CC3)cs2)c1.
What is the InChIKey of N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is JGYUXBWNJFEQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-18-14-5-3-4-11(8-14)15-17-13(10-19-15)9-16-12-6-7-12/h3-5,8,10,12,16H,2,6-7,9H2,1H3.
What are the key properties of N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 274.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 61281646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).