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

C13H16N2OS — CID 64707914

IUPAC5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(C(C)c2sc(N)nc2C)cc1
InChIInChI=1S/C13H16N2OS/c1-8(12-9(2)15-13(14)17-12)10-4-6-11(16-3)7-5-10/h4-8H,1-3H3,(H2,14,15)
InChIKeyPEIILVUIBDVBAJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.19
Rot. Bonds3

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

5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 64707914) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID64707914
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(C(C)c2sc(N)nc2C)cc1
InChIInChI=1S/C13H16N2OS/c1-8(12-9(2)15-13(14)17-12)10-4-6-11(16-3)7-5-10/h4-8H,1-3H3,(H2,14,15)
InChIKeyPEIILVUIBDVBAJ-UHFFFAOYSA-N
XLogP3.19
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1,3-thiazol-2-amine
CID 64707912
4-[1-(4-methoxyphenyl)ethyl]aniline
CID 11644284
5-[1-(2-ethylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 64707265
5-[1-(2-bromo-4-fluorophenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 64707300
(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105095522
5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 24690122
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
O-[1-(4-methoxyphenyl)ethyl]hydroxylamine
CID 55269080
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 130154004
2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 63946400
5-amino-N-[1-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624604
2-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794095

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine (CID 64707914) is 5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine is COc1ccc(C(C)c2sc(N)nc2C)cc1.
What is the InChIKey of 5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is PEIILVUIBDVBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8(12-9(2)15-13(14)17-12)10-4-6-11(16-3)7-5-10/h4-8H,1-3H3,(H2,14,15).
What are the key properties of 5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine?
5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 64707914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).