1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine

C17H24N2OS — CID 3892662

IUPAC1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCCOc1ccc(-c2csc(C(C)N)n2)cc1C(C)(C)C
InChIInChI=1S/C17H24N2OS/c1-6-20-15-8-7-12(9-13(15)17(3,4)5)14-10-21-16(19-14)11(2)18/h7-11H,6,18H2,1-5H3
InChIKeyLFBDHCWHFVPABV-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.53
Rot. Bonds4

About 1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine

1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 3892662) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID3892662
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCCOc1ccc(-c2csc(C(C)N)n2)cc1C(C)(C)C
InChIInChI=1S/C17H24N2OS/c1-6-20-15-8-7-12(9-13(15)17(3,4)5)14-10-21-16(19-14)11(2)18/h7-11H,6,18H2,1-5H3
InChIKeyLFBDHCWHFVPABV-UHFFFAOYSA-N
XLogP4.53
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-ethoxy-3-nitrophenyl)-1,3-thiazol-2-yl]ethanamine
CID 4558716
1-[4-(4-ethoxy-3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3616998
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 5162652
1-(3-tert-butyl-4-ethoxyphenyl)ethanamine
CID 5123257
1-[4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4569861
1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3404523
4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 3767969
1-[4-[3,5-di(butan-2-yl)-4-methoxyphenyl]-1,3-thiazol-2-yl]ethanamine
CID 3919078
1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 5160609
2-[4-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4030252
4-(3-tert-butyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3700203
2-[4-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3468254

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine (CID 3892662) is 1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine is CCOc1ccc(-c2csc(C(C)N)n2)cc1C(C)(C)C.
What is the InChIKey of 1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is LFBDHCWHFVPABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-6-20-15-8-7-12(9-13(15)17(3,4)5)14-10-21-16(19-14)11(2)18/h7-11H,6,18H2,1-5H3.
What are the key properties of 1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-tert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 3892662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).