5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline

C15H20N2OS — CID 82057810

IUPAC5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline
SMILESCCc1nc(-c2ccc(OCC(C)C)c(N)c2)cs1
InChIInChI=1S/C15H20N2OS/c1-4-15-17-13(9-19-15)11-5-6-14(12(16)7-11)18-8-10(2)3/h5-7,9-10H,4,8,16H2,1-3H3
InChIKeySTMDSPLKPQSROM-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.99
Rot. Bonds5

About 5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline

5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline (PubChem CID 82057810) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound Name5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline
PubChem CID82057810
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline
SMILESCCc1nc(-c2ccc(OCC(C)C)c(N)c2)cs1
InChIInChI=1S/C15H20N2OS/c1-4-15-17-13(9-19-15)11-5-6-14(12(16)7-11)18-8-10(2)3/h5-7,9-10H,4,8,16H2,1-3H3
InChIKeySTMDSPLKPQSROM-UHFFFAOYSA-N
XLogP3.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline 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

5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline
CID 82057785
2-[2-amino-4-(2-propyl-1,3-thiazol-4-yl)phenoxy]acetonitrile
CID 82057793
5-(2-chloropyrimidin-4-yl)-2-(2-methylpropoxy)aniline
CID 88958999
4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 168950454
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
CID 82152285
2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397
2-[4-(4-ethoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300635
5-(1H-benzimidazol-2-yl)-2-(2-methylpropoxy)aniline
CID 82144256
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol
CID 82152286
5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152400

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline?
The IUPAC name of 5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline (CID 82057810) is 5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline.
What is the SMILES notation for 5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline?
The canonical SMILES for 5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline is CCc1nc(-c2ccc(OCC(C)C)c(N)c2)cs1.
What is the InChIKey of 5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline?
The InChIKey is STMDSPLKPQSROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-15-17-13(9-19-15)11-5-6-14(12(16)7-11)18-8-10(2)3/h5-7,9-10H,4,8,16H2,1-3H3.
What are the key properties of 5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline?
5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline has a molecular weight of 276.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline is sourced from PubChem (CID 82057810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).