1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine

C17H24N2OS — CID 61484586

IUPAC1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
SMILESCCc1nc(COc2c(C)cc(CC(C)N)cc2C)cs1
InChIInChI=1S/C17H24N2OS/c1-5-16-19-15(10-21-16)9-20-17-11(2)6-14(7-12(17)3)8-13(4)18/h6-7,10,13H,5,8-9,18H2,1-4H3
InChIKeyRAWUUSUIWSHGRZ-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.79
Rot. Bonds6

About 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine

1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine (PubChem CID 61484586) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
PubChem CID61484586
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
SMILESCCc1nc(COc2c(C)cc(CC(C)N)cc2C)cs1
InChIInChI=1S/C17H24N2OS/c1-5-16-19-15(10-21-16)9-20-17-11(2)6-14(7-12(17)3)8-13(4)18/h6-7,10,13H,5,8-9,18H2,1-4H3
InChIKeyRAWUUSUIWSHGRZ-UHFFFAOYSA-N
XLogP3.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylbenzoic acid
CID 61484277
[5-bromo-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methylphenyl]methanamine
CID 112619709
1-[4-[(5-ethylthiophen-2-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine
CID 63421033
1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]propan-2-amine
CID 107700884
1-[3,5-dimethyl-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]propan-2-amine
CID 82878160
1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
CID 63420985
1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
CID 54930520
(1R)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 55190625
O-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 39363958
[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608195
1-[3,5-dimethyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487391
[3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 61484577

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine?
The IUPAC name of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine (CID 61484586) is 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine is CCc1nc(COc2c(C)cc(CC(C)N)cc2C)cs1.
What is the InChIKey of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine?
The InChIKey is RAWUUSUIWSHGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-5-16-19-15(10-21-16)9-20-17-11(2)6-14(7-12(17)3)8-13(4)18/h6-7,10,13H,5,8-9,18H2,1-4H3.
What are the key properties of 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine?
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3,5-dimethylphenyl]propan-2-amine is sourced from PubChem (CID 61484586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).