1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine

C16H22N2OS — CID 115726880

IUPAC1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCOc1ccc(CC(C)NC(C)c2ncc(C)s2)cc1
InChIInChI=1S/C16H22N2OS/c1-11(9-14-5-7-15(19-4)8-6-14)18-13(3)16-17-10-12(2)20-16/h5-8,10-11,13,18H,9H2,1-4H3
InChIKeyXEFDGEOAPVSAPL-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.74
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine

1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine (PubChem CID 115726880) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
PubChem CID115726880
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
SMILESCOc1ccc(CC(C)NC(C)c2ncc(C)s2)cc1
InChIInChI=1S/C16H22N2OS/c1-11(9-14-5-7-15(19-4)8-6-14)18-13(3)16-17-10-12(2)20-16/h5-8,10-11,13,18H,9H2,1-4H3
InChIKeyXEFDGEOAPVSAPL-UHFFFAOYSA-N
XLogP3.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 115726969
1-(4-methoxyphenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81354714
4,4,4-trifluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 115726994
1-ethylsulfonyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 115901209
3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanenitrile
CID 115679915
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 115726990
4-[2-[1-(4-methoxyphenyl)ethylamino]propyl]phenol
CID 81337841
N-[[4-(methoxymethyl)phenyl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680140
4-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butan-2-amine
CID 103786270
4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-nitroaniline
CID 115681229
2-hydroxy-4-methoxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115681589
N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
CID 106023214

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine (CID 115726880) is 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine is COc1ccc(CC(C)NC(C)c2ncc(C)s2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
The InChIKey is XEFDGEOAPVSAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11(9-14-5-7-15(19-4)8-6-14)18-13(3)16-17-10-12(2)20-16/h5-8,10-11,13,18H,9H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine?
1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 115726880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).