2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline

C18H18N2OS — CID 93205686

IUPAC2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
SMILESCCOc1ccc(-c2csc(-c3cccc(C)c3)n2)cc1N
InChIInChI=1S/C18H18N2OS/c1-3-21-17-8-7-13(10-15(17)19)16-11-22-18(20-16)14-6-4-5-12(2)9-14/h4-11H,3,19H2,1-2H3
InChIKeyZTAIQYPOWVBFNJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.77
Rot. Bonds4

About 2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline

2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline (PubChem CID 93205686) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
PubChem CID93205686
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
SMILESCCOc1ccc(-c2csc(-c3cccc(C)c3)n2)cc1N
InChIInChI=1S/C18H18N2OS/c1-3-21-17-8-7-13(10-15(17)19)16-11-22-18(20-16)14-6-4-5-12(2)9-14/h4-11H,3,19H2,1-2H3
InChIKeyZTAIQYPOWVBFNJ-UHFFFAOYSA-N
XLogP4.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.77
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-(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-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397
3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667895
4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
CID 78913074
[4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983705
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152333
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
CID 142374611
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 107504187
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375
2-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 9421686

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline (CID 93205686) is 2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline is CCOc1ccc(-c2csc(-c3cccc(C)c3)n2)cc1N.
What is the InChIKey of 2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is ZTAIQYPOWVBFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-3-21-17-8-7-13(10-15(17)19)16-11-22-18(20-16)14-6-4-5-12(2)9-14/h4-11H,3,19H2,1-2H3.
What are the key properties of 2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline?
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 310.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 93205686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).