2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline

C14H18N2OS — CID 82152397

IUPAC2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
SMILESCCOc1ccc(-c2nc(C(C)C)cs2)cc1N
InChIInChI=1S/C14H18N2OS/c1-4-17-13-6-5-10(7-11(13)15)14-16-12(8-18-14)9(2)3/h5-9H,4,15H2,1-3H3
InChIKeyOACSULWPYKJZPB-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.91
Rot. Bonds4

About 2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline

2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline (PubChem CID 82152397) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound Name2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
PubChem CID82152397
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
SMILESCCOc1ccc(-c2nc(C(C)C)cs2)cc1N
InChIInChI=1S/C14H18N2OS/c1-4-17-13-6-5-10(7-11(13)15)14-16-12(8-18-14)9(2)3/h5-9H,4,15H2,1-3H3
InChIKeyOACSULWPYKJZPB-UHFFFAOYSA-N
XLogP3.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152400
1-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82515888
2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690133
2-(2-ethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690146
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
2-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515880
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
CID 82152285
2-(3-chloro-4-methylphenyl)-4-propan-2-yl-1,3-thiazole
CID 165458129
[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558532
2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline
CID 94758930
2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole
CID 21355336
2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole
CID 20664385

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline?
The IUPAC name of 2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline (CID 82152397) is 2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline.
What is the SMILES notation for 2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline?
The canonical SMILES for 2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline is CCOc1ccc(-c2nc(C(C)C)cs2)cc1N.
What is the InChIKey of 2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline?
The InChIKey is OACSULWPYKJZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-4-17-13-6-5-10(7-11(13)15)14-16-12(8-18-14)9(2)3/h5-9H,4,15H2,1-3H3.
What are the key properties of 2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline?
2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline has a molecular weight of 262.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 82152397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).