2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline

C18H18N2S — CID 60707088

IUPAC2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline
SMILESCCc1ccc(-c2nc(-c3ccccc3N)sc2C)cc1
InChIInChI=1S/C18H18N2S/c1-3-13-8-10-14(11-9-13)17-12(2)21-18(20-17)15-6-4-5-7-16(15)19/h4-11H,3,19H2,1-2H3
InChIKeyOZQZVSQFAVSLDM-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.93
Rot. Bonds3

About 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline

2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline (PubChem CID 60707088) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline
PubChem CID60707088
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline
SMILESCCc1ccc(-c2nc(-c3ccccc3N)sc2C)cc1
InChIInChI=1S/C18H18N2S/c1-3-13-8-10-14(11-9-13)17-12(2)21-18(20-17)15-6-4-5-7-16(15)19/h4-11H,3,19H2,1-2H3
InChIKeyOZQZVSQFAVSLDM-UHFFFAOYSA-N
XLogP4.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-Benzothiazol-2-Yl)-2-Methylaniline
CID 384525
3-(2-Methyl-thiazol-4-yl)-phenylamine
CID 736535
Mls000737657
CID 233874
4,5-Di-p-tolyl-thiazol-2-ylamine
CID 2382939
2-Methyl-4,5-diphenylthiazole
CID 77365
2-(1,3-Benzothiazol-2-yl)aniline
CID 667680
5-(1,3-Benzothiazol-2-yl)-2-methylaniline
CID 735970
5-(4-Aminophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 622549
2-(4-Tert-butylphenyl)-1,3-benzothiazole
CID 709072
3-Ethyl-2-methyl-4,5-diphenyl-1,3-thiazol-3-ium iodide
CID 16194442
2-Methyl-4-(4-aminophenyl)thiazole
CID 152684
Thiazole, triphenyl-
CID 1712256

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline?
The IUPAC name of 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline (CID 60707088) is 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline is CCc1ccc(-c2nc(-c3ccccc3N)sc2C)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline?
The InChIKey is OZQZVSQFAVSLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-3-13-8-10-14(11-9-13)17-12(2)21-18(20-17)15-6-4-5-7-16(15)19/h4-11H,3,19H2,1-2H3.
What are the key properties of 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline?
2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline has a molecular weight of 294.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 60707088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).