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

C16H22N2OS — CID 79774581

IUPAC5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2ccc(C(C)C)cc2)s1
InChIInChI=1S/C16H22N2OS/c1-4-9-17-16-18-10-15(20-16)11-19-14-7-5-13(6-8-14)12(2)3/h5-8,10,12H,4,9,11H2,1-3H3,(H,17,18)
InChIKeyGDXBUFQTVBWCPJ-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.67
Rot. Bonds7

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

5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79774581) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79774581
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2ccc(C(C)C)cc2)s1
InChIInChI=1S/C16H22N2OS/c1-4-9-17-16-18-10-15(20-16)11-19-14-7-5-13(6-8-14)12(2)3/h5-8,10,12H,4,9,11H2,1-3H3,(H,17,18)
InChIKeyGDXBUFQTVBWCPJ-UHFFFAOYSA-N
XLogP4.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-propoxyphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79762271
5-[(4-fluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775240
5-[(3,4-difluorophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775254
5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774588
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
N-ethyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79775041
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
5-ethyl-N-propyl-1,3-thiazol-2-amine
CID 62943674
N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774785
5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774030

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine (CID 79774581) is 5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COc2ccc(C(C)C)cc2)s1.
What is the InChIKey of 5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is GDXBUFQTVBWCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-9-17-16-18-10-15(20-16)11-19-14-7-5-13(6-8-14)12(2)3/h5-8,10,12H,4,9,11H2,1-3H3,(H,17,18).
What are the key properties of 5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine?
5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 290.43 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).