N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C12H11F3N2OS — CID 133366043

IUPACN-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C12H11F3N2OS/c1-18-9-4-2-8(3-5-9)6-16-11-17-10(7-19-11)12(13,14)15/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyYXFINNIOUJOCER-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.78
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 133366043) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID133366043
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(CNc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C12H11F3N2OS/c1-18-9-4-2-8(3-5-9)6-16-11-17-10(7-19-11)12(13,14)15/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyYXFINNIOUJOCER-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 10728405
4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 656127
2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine
CID 59128898
2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 116891702
4-N-[(4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridine-2,4-diamine
CID 177043715
2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 9148773
N-ethyl-N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133384216
N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 138018973
1-(3,4-dimethoxyphenyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]ethanol
CID 84591027
2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 86980074
3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133352107
N-[(4-methoxyphenyl)methyl]-6-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 90017318

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 133366043) is N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is COc1ccc(CNc2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is YXFINNIOUJOCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c1-18-9-4-2-8(3-5-9)6-16-11-17-10(7-19-11)12(13,14)15/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 288.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133366043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).