2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine

C15H20N2OS — CID 61338431

IUPAC2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCCOc1ccccc1-c1csc(C(C)(N)CC)n1
InChIInChI=1S/C15H20N2OS/c1-4-15(3,16)14-17-12(10-19-14)11-8-6-7-9-13(11)18-5-2/h6-10H,4-5,16H2,1-3H3
InChIKeyWLNUUVHSUHPDTK-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.79
Rot. Bonds5

About 2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine

2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine (PubChem CID 61338431) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine
PubChem CID61338431
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCCOc1ccccc1-c1csc(C(C)(N)CC)n1
InChIInChI=1S/C15H20N2OS/c1-4-15(3,16)14-17-12(10-19-14)11-8-6-7-9-13(11)18-5-2/h6-10H,4-5,16H2,1-3H3
InChIKeyWLNUUVHSUHPDTK-UHFFFAOYSA-N
XLogP3.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine
CID 61337854
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82516097
3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667895
2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 28864574
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
CID 56832420
N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62543860
N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103175
5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol
CID 160850769
6-(2-ethoxyphenyl)-2-methylpyridin-3-amine
CID 82467687
2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61338037
3-[[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967634

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine?
The IUPAC name of 2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine (CID 61338431) is 2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine is CCOc1ccccc1-c1csc(C(C)(N)CC)n1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine?
The InChIKey is WLNUUVHSUHPDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-15(3,16)14-17-12(10-19-14)11-8-6-7-9-13(11)18-5-2/h6-10H,4-5,16H2,1-3H3.
What are the key properties of 2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine?
2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine is sourced from PubChem (CID 61338431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).