N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine

C16H12F3N3S — CID 162549510

IUPACN-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCC(F)(F)c1cccc(Nc2nc(-c3cccnc3)c(F)s2)c1
InChIInChI=1S/C16H12F3N3S/c1-16(18,19)11-5-2-6-12(8-11)21-15-22-13(14(17)23-15)10-4-3-7-20-9-10/h2-9H,1H3,(H,21,22)
InChIKeyTXAGYYZMBWQBEY-UHFFFAOYSA-N
MW335.35 g/mol
LogP5.20
Rot. Bonds4

About N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 162549510) has the molecular formula C16H12F3N3S and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID162549510
Molecular FormulaC16H12F3N3S
Molecular Weight335.35 g/mol
Exact Mass335.07
IUPAC NameN-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCC(F)(F)c1cccc(Nc2nc(-c3cccnc3)c(F)s2)c1
InChIInChI=1S/C16H12F3N3S/c1-16(18,19)11-5-2-6-12(8-11)21-15-22-13(14(17)23-15)10-4-3-7-20-9-10/h2-9H,1H3,(H,21,22)
InChIKeyTXAGYYZMBWQBEY-UHFFFAOYSA-N
XLogP5.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.35
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-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

5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58496115
5-(aminomethyl)-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 88887698
N-[[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]methyl]pyridine-4-carboxamide
CID 58496100
4-(3-fluorophenyl)-N-pyridin-3-yl-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
CID 10268738
4-(3,4-dimethylphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 126060767
iodomethane;4-(1-methylpyridin-1-ium-3-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;iodide
CID 161467452
3-[(5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-2-pentoxybenzonitrile
CID 91603902
N-(3-fluorophenyl)-6-(3-fluoro-4-pyridinyl)-5-pyridin-3-yl-1,2,4-triazin-3-amine
CID 146550074
2-[4-phenyl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetamide
CID 16738864
N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 1258107
2-[4-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]acetic acid
CID 29264700
5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306595

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 162549510) is N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine is CC(F)(F)c1cccc(Nc2nc(-c3cccnc3)c(F)s2)c1.
What is the InChIKey of N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is TXAGYYZMBWQBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3S/c1-16(18,19)11-5-2-6-12(8-11)21-15-22-13(14(17)23-15)10-4-3-7-20-9-10/h2-9H,1H3,(H,21,22).
What are the key properties of N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 335.35 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-difluoroethyl)phenyl]-5-fluoro-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 162549510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).