2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine

C15H20N2O2S — CID 82515948

IUPAC2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCCOc1c(OC)cccc1-c1nc(C(C)(C)N)cs1
InChIInChI=1S/C15H20N2O2S/c1-5-19-13-10(7-6-8-11(13)18-4)14-17-12(9-20-14)15(2,3)16/h6-9H,5,16H2,1-4H3
InChIKeyKTLGSVJIFDLBQS-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.41
Rot. Bonds5

About 2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine

2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 82515948) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID82515948
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCCOc1c(OC)cccc1-c1nc(C(C)(C)N)cs1
InChIInChI=1S/C15H20N2O2S/c1-5-19-13-10(7-6-8-11(13)18-4)14-17-12(9-20-14)15(2,3)16/h6-9H,5,16H2,1-4H3
InChIKeyKTLGSVJIFDLBQS-UHFFFAOYSA-N
XLogP3.41
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82516097
2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
CID 16766166
2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427169
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515880
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82441266
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82191248
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441264
1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430165
2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20991959
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
ethyl 4-[2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 36759632

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine (CID 82515948) is 2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine is CCOc1c(OC)cccc1-c1nc(C(C)(C)N)cs1.
What is the InChIKey of 2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is KTLGSVJIFDLBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-5-19-13-10(7-6-8-11(13)18-4)14-17-12(9-20-14)15(2,3)16/h6-9H,5,16H2,1-4H3.
What are the key properties of 2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 292.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 82515948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).