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

C16H22N2OS — CID 82057785

IUPAC5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline
SMILESCCCCCOc1ccc(-c2csc(CC)n2)cc1N
InChIInChI=1S/C16H22N2OS/c1-3-5-6-9-19-15-8-7-12(10-13(15)17)14-11-20-16(4-2)18-14/h7-8,10-11H,3-6,9,17H2,1-2H3
InChIKeyJECGIULJGADUPO-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.52
Rot. Bonds7

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

5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline (PubChem CID 82057785) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline.

Molecular Properties

Compound Name5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline
PubChem CID82057785
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline
SMILESCCCCCOc1ccc(-c2csc(CC)n2)cc1N
InChIInChI=1S/C16H22N2OS/c1-3-5-6-9-19-15-8-7-12(10-13(15)17)14-11-20-16(4-2)18-14/h7-8,10-11H,3-6,9,17H2,1-2H3
InChIKeyJECGIULJGADUPO-UHFFFAOYSA-N
XLogP4.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethyl-1,3-thiazol-4-yl)-2-(2-methylpropoxy)aniline
CID 82057810
2-[2-amino-4-(2-propyl-1,3-thiazol-4-yl)phenoxy]acetonitrile
CID 82057793
4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 168950454
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
CID 82152285
2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol
CID 82152286
2-butoxy-5-(4,5-dimethyl-1,3-thiazol-2-yl)aniline
CID 82152374
2-chloro-5-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]aniline
CID 39164043
2-butoxy-5-phenylaniline
CID 54853554
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152400
4-(3-amino-4-octoxyphenyl)benzoic acid
CID 22131860
5-bromo-2-hexoxyaniline
CID 28994958

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline?
The IUPAC name of 5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline (CID 82057785) is 5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline.
What is the SMILES notation for 5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline?
The canonical SMILES for 5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline is CCCCCOc1ccc(-c2csc(CC)n2)cc1N.
What is the InChIKey of 5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline?
The InChIKey is JECGIULJGADUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-5-6-9-19-15-8-7-12(10-13(15)17)14-11-20-16(4-2)18-14/h7-8,10-11H,3-6,9,17H2,1-2H3.
What are the key properties of 5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline?
5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline has a molecular weight of 290.43 g/mol, XLogP of 4.52, 7 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-pentoxyaniline is sourced from PubChem (CID 82057785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).