5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine

C16H22N2O2S — CID 79762271

IUPAC5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2ccc(OCCC)cc2)s1
InChIInChI=1S/C16H22N2O2S/c1-3-9-17-16-18-11-15(21-16)12-20-14-7-5-13(6-8-14)19-10-4-2/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,17,18)
InChIKeyVBXPIAWHADYRBY-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.33
Rot. Bonds9

About 5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine

5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79762271) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79762271
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2ccc(OCCC)cc2)s1
InChIInChI=1S/C16H22N2O2S/c1-3-9-17-16-18-11-15(21-16)12-20-14-7-5-13(6-8-14)19-10-4-2/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,17,18)
InChIKeyVBXPIAWHADYRBY-UHFFFAOYSA-N
XLogP4.33
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775240
5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774581
5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775254
2-chloro-5-[(4-propoxyphenoxy)methyl]-1,3-thiazole
CID 79764860
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774302
5-[(4-bromo-3-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775262
5-[(3-ethylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774113
5-[(3-iodophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774869
N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774785
5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774588
[2-[[2-(propylamino)-1,3-thiazol-5-yl]methoxy]phenyl]methanol
CID 79775065
5-(2-cyclobutylethoxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 114157919

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine (CID 79762271) is 5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COc2ccc(OCCC)cc2)s1.
What is the InChIKey of 5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is VBXPIAWHADYRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-9-17-16-18-11-15(21-16)12-20-14-7-5-13(6-8-14)19-10-4-2/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,17,18).
What are the key properties of 5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 306.43 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79762271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).