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

C16H22N2O2S — CID 82434313

IUPAC1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccc(OCc2nc(C(C)C)c(C(C)N)s2)cc1
InChIInChI=1S/C16H22N2O2S/c1-10(2)15-16(11(3)17)21-14(18-15)9-20-13-7-5-12(19-4)6-8-13/h5-8,10-11H,9,17H2,1-4H3
InChIKeyRLSVBQRIKBNCGD-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.87
Rot. Bonds6

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

1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine (PubChem CID 82434313) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
PubChem CID82434313
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
SMILESCOc1ccc(OCc2nc(C(C)C)c(C(C)N)s2)cc1
InChIInChI=1S/C16H22N2O2S/c1-10(2)15-16(11(3)17)21-14(18-15)9-20-13-7-5-12(19-4)6-8-13/h5-8,10-11H,9,17H2,1-4H3
InChIKeyRLSVBQRIKBNCGD-UHFFFAOYSA-N
XLogP3.87
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(3-methylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82434130
1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 20982818
1-[4-tert-butyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 82438755
2-[(4-fluorophenoxy)methyl]-4-propan-2-yl-1,3-thiazole-5-carbohydrazide
CID 82434266
1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630917
(1R)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82001527
1-[4-(methoxymethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440582
[2-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434850
1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82441413
(2S)-1-(4-methoxyphenoxy)propan-2-amine
CID 7263362
2-[2-(phenoxymethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82434092
(1R)-1-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 79009249

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine (CID 82434313) is 1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine is COc1ccc(OCc2nc(C(C)C)c(C(C)N)s2)cc1.
What is the InChIKey of 1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is RLSVBQRIKBNCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-10(2)15-16(11(3)17)21-14(18-15)9-20-13-7-5-12(19-4)6-8-13/h5-8,10-11H,9,17H2,1-4H3.
What are the key properties of 1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxyphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82434313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).