N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine

C16H20N2O2S — CID 82424071

IUPACN-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOc1cccc(OCCc2ncc(CNC3CC3)s2)c1
InChIInChI=1S/C16H20N2O2S/c1-19-13-3-2-4-14(9-13)20-8-7-16-18-11-15(21-16)10-17-12-5-6-12/h2-4,9,11-12,17H,5-8,10H2,1H3
InChIKeyYHPCQACRFXONAD-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.03
Rot. Bonds8

About N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82424071) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82424071
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOc1cccc(OCCc2ncc(CNC3CC3)s2)c1
InChIInChI=1S/C16H20N2O2S/c1-19-13-3-2-4-14(9-13)20-8-7-16-18-11-15(21-16)10-17-12-5-6-12/h2-4,9,11-12,17H,5-8,10H2,1H3
InChIKeyYHPCQACRFXONAD-UHFFFAOYSA-N
XLogP3.03
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61281749
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82424057
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82423081
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 81304184
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82424083
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53272487
N-[[2-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424084
[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 95461249
N-[[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423142
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465
N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755519
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82424071) is N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is COc1cccc(OCCc2ncc(CNC3CC3)s2)c1.
What is the InChIKey of N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is YHPCQACRFXONAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-19-13-3-2-4-14(9-13)20-8-7-16-18-11-15(21-16)10-17-12-5-6-12/h2-4,9,11-12,17H,5-8,10H2,1H3.
What are the key properties of N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 304.42 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82424071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).