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

C16H20N2O2S — CID 82424057

IUPACN-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOc1ccccc1OCCc1ncc(CNC2CC2)s1
InChIInChI=1S/C16H20N2O2S/c1-19-14-4-2-3-5-15(14)20-9-8-16-18-11-13(21-16)10-17-12-6-7-12/h2-5,11-12,17H,6-10H2,1H3
InChIKeyXMKLBKVAHGWPSY-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.03
Rot. Bonds8

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

N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 82424057) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID82424057
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCOc1ccccc1OCCc1ncc(CNC2CC2)s1
InChIInChI=1S/C16H20N2O2S/c1-19-14-4-2-3-5-15(14)20-9-8-16-18-11-13(21-16)10-17-12-6-7-12/h2-5,11-12,17H,6-10H2,1H3
InChIKeyXMKLBKVAHGWPSY-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 ≤ 500304.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[2-(3-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82424071
N-[[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 61281749
5-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-2-amine
CID 113370258
N-[[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63890465
N-[[2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82423969
N-[[2-[2-(2-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82423840
N-[[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63632375
N-[[2-(1-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 116502748
N-[[2-(benzenesulfonylmethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82423235
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
CID 54883557
5-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62754267
5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 62753295

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 82424057) is N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is COc1ccccc1OCCc1ncc(CNC2CC2)s1.
What is the InChIKey of N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is XMKLBKVAHGWPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-19-14-4-2-3-5-15(14)20-9-8-16-18-11-13(21-16)10-17-12-6-7-12/h2-5,11-12,17H,6-10H2,1H3.
What are the key properties of N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[2-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 304.41 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-(2-methoxyphenoxy)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82424057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).