1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine

C14H18N2OS — CID 83969721

IUPAC1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCOc1ccc(Cc2nc(C(C)N)cs2)c(C)c1
InChIInChI=1S/C14H18N2OS/c1-9-6-12(17-3)5-4-11(9)7-14-16-13(8-18-14)10(2)15/h4-6,8,10H,7,15H2,1-3H3
InChIKeyARTYOXDCEGXVPB-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.07
Rot. Bonds4

About 1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine

1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 83969721) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID83969721
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCOc1ccc(Cc2nc(C(C)N)cs2)c(C)c1
InChIInChI=1S/C14H18N2OS/c1-9-6-12(17-3)5-4-11(9)7-14-16-13(8-18-14)10(2)15/h4-6,8,10H,7,15H2,1-3H3
InChIKeyARTYOXDCEGXVPB-UHFFFAOYSA-N
XLogP3.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115089202
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 20982880
1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 64544468
O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117276532
(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 51898160
methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate
CID 115021994
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 64556459
1-(4-methoxyphenyl)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethanamine
CID 82066849
N-[1-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64542673
2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine
CID 83108000
1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64544064

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine (CID 83969721) is 1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine is COc1ccc(Cc2nc(C(C)N)cs2)c(C)c1.
What is the InChIKey of 1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is ARTYOXDCEGXVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-6-12(17-3)5-4-11(9)7-14-16-13(8-18-14)10(2)15/h4-6,8,10H,7,15H2,1-3H3.
What are the key properties of 1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine?
1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 262.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methoxy-2-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 83969721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).