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

C16H22N2O2S — CID 82515880

IUPAC2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCCOc1ccc(-c2nc(C(C)(C)N)cs2)cc1OCC
InChIInChI=1S/C16H22N2O2S/c1-5-19-12-8-7-11(9-13(12)20-6-2)15-18-14(10-21-15)16(3,4)17/h7-10H,5-6,17H2,1-4H3
InChIKeySGYVTPFOJOPYQC-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.80
Rot. Bonds6

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

2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 82515880) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID82515880
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCCOc1ccc(-c2nc(C(C)(C)N)cs2)cc1OCC
InChIInChI=1S/C16H22N2O2S/c1-5-19-12-8-7-11(9-13(12)20-6-2)15-18-14(10-21-15)16(3,4)17/h7-10H,5-6,17H2,1-4H3
InChIKeySGYVTPFOJOPYQC-UHFFFAOYSA-N
XLogP3.80
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.80
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-(3-methoxy-4-propoxyphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515913
2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397
1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82515888
[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl] propanoate
CID 175274809
4-amino-6-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-2-carboxylic acid
CID 19041052
2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515948
2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888092
2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazole-4-carboximidamide
CID 82515896
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]pyridine-4-carbonitrile
CID 18707123
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-[2-(3-ethoxyphenyl)-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 94707671

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine (CID 82515880) is 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine is CCOc1ccc(-c2nc(C(C)(C)N)cs2)cc1OCC.
What is the InChIKey of 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is SGYVTPFOJOPYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-5-19-12-8-7-11(9-13(12)20-6-2)15-18-14(10-21-15)16(3,4)17/h7-10H,5-6,17H2,1-4H3.
What are the key properties of 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine?
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 306.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 82515880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).