N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C15H9ClF3N3S — CID 58791500

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Nc2nc(-c3cccnc3)cs2)ccc1Cl
InChIInChI=1S/C15H9ClF3N3S/c16-12-4-3-10(6-11(12)15(17,18)19)21-14-22-13(8-23-14)9-2-1-5-20-7-9/h1-8H,(H,21,22)
InChIKeyHDCUIUHJIPJCLB-UHFFFAOYSA-N
MW355.77 g/mol
LogP5.62
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 58791500) has the molecular formula C15H9ClF3N3S and a molecular weight of 355.77 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID58791500
Molecular FormulaC15H9ClF3N3S
Molecular Weight355.77 g/mol
Exact Mass355.02
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cc(Nc2nc(-c3cccnc3)cs2)ccc1Cl
InChIInChI=1S/C15H9ClF3N3S/c16-12-4-3-10(6-11(12)15(17,18)19)21-14-22-13(8-23-14)9-2-1-5-20-7-9/h1-8H,(H,21,22)
InChIKeyHDCUIUHJIPJCLB-UHFFFAOYSA-N
XLogP5.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.77
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-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-(cyclopropylmethoxy)-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791691
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
N-[4-oct-1-ynyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791342
N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 143328866
N-[4-[(Z)-oct-5-enoxy]-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791229
N-[4-octan-2-yloxy-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791822
N-[2-methyl-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791198
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 58910459
N-(2-chlorophenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 1092464
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 59802438
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 58791500) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is FC(F)(F)c1cc(Nc2nc(-c3cccnc3)cs2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is HDCUIUHJIPJCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3S/c16-12-4-3-10(6-11(12)15(17,18)19)21-14-22-13(8-23-14)9-2-1-5-20-7-9/h1-8H,(H,21,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 355.77 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58791500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).