1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine

C16H22N2OS — CID 82434130

IUPAC1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
SMILESCc1cccc(OCc2nc(C(C)C)c(C(C)N)s2)c1
InChIInChI=1S/C16H22N2OS/c1-10(2)15-16(12(4)17)20-14(18-15)9-19-13-7-5-6-11(3)8-13/h5-8,10,12H,9,17H2,1-4H3
InChIKeyIGDFRZUJPQJRKD-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.17
Rot. Bonds5

About 1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine

1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine (PubChem CID 82434130) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
PubChem CID82434130
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
SMILESCc1cccc(OCc2nc(C(C)C)c(C(C)N)s2)c1
InChIInChI=1S/C16H22N2OS/c1-10(2)15-16(12(4)17)20-14(18-15)9-19-13-7-5-6-11(3)8-13/h5-8,10,12H,9,17H2,1-4H3
InChIKeyIGDFRZUJPQJRKD-UHFFFAOYSA-N
XLogP4.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82434313
1-[4-ethyl-2-[2-(3-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82429743
1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 20982818
N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 24714844
N-[[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82428819
4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82425986
2-[(3-chlorophenoxy)methyl]-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82434280
1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630920
1-[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428830
[4-(methoxymethyl)-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82440408
4-methyl-2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82426066
[4-tert-butyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82438695

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine (CID 82434130) is 1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine is Cc1cccc(OCc2nc(C(C)C)c(C(C)N)s2)c1.
What is the InChIKey of 1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is IGDFRZUJPQJRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10(2)15-16(12(4)17)20-14(18-15)9-19-13-7-5-6-11(3)8-13/h5-8,10,12H,9,17H2,1-4H3.
What are the key properties of 1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82434130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).