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

C19H20N2S — CID 39163870

IUPAC4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline
SMILESCCc1sc(Cc2ccc(N)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C19H20N2S/c1-3-17-19(15-8-4-13(2)5-9-15)21-18(22-17)12-14-6-10-16(20)11-7-14/h4-11H,3,12,20H2,1-2H3
InChIKeyMUDFXYULTGGNSZ-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.85
Rot. Bonds4

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

4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline (PubChem CID 39163870) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline
PubChem CID39163870
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline
SMILESCCc1sc(Cc2ccc(N)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C19H20N2S/c1-3-17-19(15-8-4-13(2)5-9-15)21-18(22-17)12-14-6-10-16(20)11-7-14/h4-11H,3,12,20H2,1-2H3
InChIKeyMUDFXYULTGGNSZ-UHFFFAOYSA-N
XLogP4.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[5-ethyl-4-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl]aniline
CID 39163872
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline
CID 39163851
4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]aniline;hydrochloride
CID 120558544
5-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)methyl]-2-methoxyaniline
CID 82152282
4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline
CID 39163857
4-ethylaniline;methane;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 157414016
[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine
CID 39373614
4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]aniline
CID 54859288
N-methyl-1-[2-[(4-methylphenyl)methyl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114363582
[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177501
2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82069519
2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 79782596

Frequently Asked Questions

What is the IUPAC name of 4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline?
The IUPAC name of 4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline (CID 39163870) is 4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline.
What is the SMILES notation for 4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline?
The canonical SMILES for 4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline is CCc1sc(Cc2ccc(N)cc2)nc1-c1ccc(C)cc1.
What is the InChIKey of 4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline?
The InChIKey is MUDFXYULTGGNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S/c1-3-17-19(15-8-4-13(2)5-9-15)21-18(22-17)12-14-6-10-16(20)11-7-14/h4-11H,3,12,20H2,1-2H3.
What are the key properties of 4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline?
4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline has a molecular weight of 308.45 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline is sourced from PubChem (CID 39163870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).