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

C19H20N2S — CID 39163857

IUPAC4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline
SMILESCc1ccc(-c2nc(Cc3ccc(N)cc3)sc2C)c(C)c1
InChIInChI=1S/C19H20N2S/c1-12-4-9-17(13(2)10-12)19-14(3)22-18(21-19)11-15-5-7-16(20)8-6-15/h4-10H,11,20H2,1-3H3
InChIKeyCXTQLOVMWFJEBA-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.91
Rot. Bonds3

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

4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline (PubChem CID 39163857) has the molecular formula C19H20N2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline
PubChem CID39163857
Molecular FormulaC19H20N2S
Molecular Weight308.45 g/mol
Exact Mass308.13
IUPAC Name4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline
SMILESCc1ccc(-c2nc(Cc3ccc(N)cc3)sc2C)c(C)c1
InChIInChI=1S/C19H20N2S/c1-12-4-9-17(13(2)10-12)19-14(3)22-18(21-19)11-15-5-7-16(20)8-6-15/h4-10H,11,20H2,1-3H3
InChIKeyCXTQLOVMWFJEBA-UHFFFAOYSA-N
XLogP4.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.91
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-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline
CID 39163851
4-[[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]aniline
CID 39163870
2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol
CID 82102696
4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]aniline;hydrochloride
CID 120558544
2-[(3,4-dimethylphenyl)methyl]-5-methyl-1,3-thiazol-4-amine
CID 83108247
2-(chloromethyl)-5-methyl-4-(2,3,4-trimethylphenyl)-1,3-thiazole
CID 116867921
4-[(6-ethyl-1,3-benzothiazol-2-yl)methyl]aniline
CID 54859288
4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 842777
1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964953
N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055034
3-(2,4-dimethylphenyl)-4-methylaniline
CID 63334523
2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-amine
CID 63945667

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline?
The IUPAC name of 4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline (CID 39163857) is 4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline.
What is the SMILES notation for 4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline?
The canonical SMILES for 4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline is Cc1ccc(-c2nc(Cc3ccc(N)cc3)sc2C)c(C)c1.
What is the InChIKey of 4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline?
The InChIKey is CXTQLOVMWFJEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S/c1-12-4-9-17(13(2)10-12)19-14(3)22-18(21-19)11-15-5-7-16(20)8-6-15/h4-10H,11,20H2,1-3H3.
What are the key properties of 4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline?
4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline has a molecular weight of 308.45 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]aniline is sourced from PubChem (CID 39163857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).