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

C12H13F3N2S — CID 62881674

IUPAC5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCc2ccccc2C(F)(F)F)S1
InChIInChI=1S/C12H13F3N2S/c1-8-6-16-11(18-8)17-7-9-4-2-3-5-10(9)12(13,14)15/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeySBOJBPPWKBHCJK-UHFFFAOYSA-N
MW274.31 g/mol
LogP3.29
Rot. Bonds2

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

5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 62881674) has the molecular formula C12H13F3N2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID62881674
Molecular FormulaC12H13F3N2S
Molecular Weight274.31 g/mol
Exact Mass274.08
IUPAC Name5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCc2ccccc2C(F)(F)F)S1
InChIInChI=1S/C12H13F3N2S/c1-8-6-16-11(18-8)17-7-9-4-2-3-5-10(9)12(13,14)15/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeySBOJBPPWKBHCJK-UHFFFAOYSA-N
XLogP3.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-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

2-N,2-N-dimethyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 64830673
2-amino-2-cyclopropyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879952
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
N-[(2-ethylphenyl)methyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113496091
5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 64624741
N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine
CID 4726734
N-[[2-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 62048945
1-(thiiran-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 162544005
2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 64909083
5-(2-aminopropan-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine;hydrochloride
CID 154918181
2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 150499557
5-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 62117935

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 62881674) is 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCc2ccccc2C(F)(F)F)S1.
What is the InChIKey of 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is SBOJBPPWKBHCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2S/c1-8-6-16-11(18-8)17-7-9-4-2-3-5-10(9)12(13,14)15/h2-5,8H,6-7H2,1H3,(H,16,17).
What are the key properties of 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 274.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 62881674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).