4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C19H17F3N2S — CID 126060767

IUPAC4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2C)cc1C
InChIInChI=1S/C19H17F3N2S/c1-11-7-8-14(9-12(11)2)17-13(3)25-18(24-17)23-16-6-4-5-15(10-16)19(20,21)22/h4-10H,1-3H3,(H,23,24)
InChIKeyFQQJZKYLPWNCRF-UHFFFAOYSA-N
MW362.42 g/mol
LogP6.50
Rot. Bonds3

About 4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 126060767) has the molecular formula C19H17F3N2S and a molecular weight of 362.42 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID126060767
Molecular FormulaC19H17F3N2S
Molecular Weight362.42 g/mol
Exact Mass362.11
IUPAC Name4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2C)cc1C
InChIInChI=1S/C19H17F3N2S/c1-11-7-8-14(9-12(11)2)17-13(3)25-18(24-17)23-16-6-4-5-15(10-16)19(20,21)22/h4-10H,1-3H3,(H,23,24)
InChIKeyFQQJZKYLPWNCRF-UHFFFAOYSA-N
XLogP6.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.42
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055578
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoic acid
CID 780810
4-(3,4-dimethylphenyl)-5-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 126052604
methyl 4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 1111716
1-[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 58465398
5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 88887698
2-[4-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetic acid
CID 29264700
N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126048866
2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide
CID 16738864
5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306595
[4-propyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methanol
CID 58496121
4-(3,4-dichlorophenyl)-5-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 126050050

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 126060767) is 4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Cc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2C)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is FQQJZKYLPWNCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2S/c1-11-7-8-14(9-12(11)2)17-13(3)25-18(24-17)23-16-6-4-5-15(10-16)19(20,21)22/h4-10H,1-3H3,(H,23,24).
What are the key properties of 4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 362.42 g/mol, XLogP of 6.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 126060767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).