[4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine

C14H18N2O2S — CID 112640347

IUPAC[4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
SMILESCCCOc1ccc(CN)c(OCc2cncs2)c1
InChIInChI=1S/C14H18N2O2S/c1-2-5-17-12-4-3-11(7-15)14(6-12)18-9-13-8-16-10-19-13/h3-4,6,8,10H,2,5,7,9,15H2,1H3
InChIKeyQFFVGAMTUDZACA-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.97
Rot. Bonds7

About [4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine

[4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine (PubChem CID 112640347) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is [4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
PubChem CID112640347
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name[4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
SMILESCCCOc1ccc(CN)c(OCc2cncs2)c1
InChIInChI=1S/C14H18N2O2S/c1-2-5-17-12-4-3-11(7-15)14(6-12)18-9-13-8-16-10-19-13/h3-4,6,8,10H,2,5,7,9,15H2,1H3
InChIKeyQFFVGAMTUDZACA-UHFFFAOYSA-N
XLogP2.97
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112643613
[5-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine
CID 112640291
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
5-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1,3-thiazole
CID 112641147
[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanol
CID 112641042
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-4-propoxyphenyl]methanamine
CID 60887454
[6-(1,3-thiazol-5-ylmethoxy)-1,3-benzodioxol-5-yl]methanamine
CID 112640370
(2-octoxy-4-propoxyphenyl)methanamine
CID 43472093
1-[4-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640362
[2-[(3-methyl-2-pyridinyl)methoxy]-4-propoxyphenyl]methanamine
CID 115981753
[2-(2-ethylbutoxy)-4-propoxyphenyl]methanamine
CID 82925951
[2-(cyclobutylmethoxy)-4-propoxyphenyl]methanamine
CID 65457537

Frequently Asked Questions

What is the IUPAC name of [4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine?
The IUPAC name of [4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine (CID 112640347) is [4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine is CCCOc1ccc(CN)c(OCc2cncs2)c1.
What is the InChIKey of [4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine?
The InChIKey is QFFVGAMTUDZACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-2-5-17-12-4-3-11(7-15)14(6-12)18-9-13-8-16-10-19-13/h3-4,6,8,10H,2,5,7,9,15H2,1H3.
What are the key properties of [4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine?
[4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine has a molecular weight of 278.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 112640347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).