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

C16H11F4N3O2S — CID 30296649

IUPAC4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESFC(F)Oc1ccc(-c2csc(Nc3ccccn3)n2)c(OC(F)F)c1
InChIInChI=1S/C16H11F4N3O2S/c17-14(18)24-9-4-5-10(12(7-9)25-15(19)20)11-8-26-16(22-11)23-13-3-1-2-6-21-13/h1-8,14-15H,(H,21,22,23)
InChIKeyAGRRUSCWSNGGJS-UHFFFAOYSA-N
MW385.34 g/mol
LogP5.15
Rot. Bonds7

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

4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 30296649) has the molecular formula C16H11F4N3O2S and a molecular weight of 385.34 g/mol. Its IUPAC name is 4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID30296649
Molecular FormulaC16H11F4N3O2S
Molecular Weight385.34 g/mol
Exact Mass385.05
IUPAC Name4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESFC(F)Oc1ccc(-c2csc(Nc3ccccn3)n2)c(OC(F)F)c1
InChIInChI=1S/C16H11F4N3O2S/c17-14(18)24-9-4-5-10(12(7-9)25-15(19)20)11-8-26-16(22-11)23-13-3-1-2-6-21-13/h1-8,14-15H,(H,21,22,23)
InChIKeyAGRRUSCWSNGGJS-UHFFFAOYSA-N
XLogP5.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.34
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-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

4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 25342683
N-[3-(difluoromethoxy)phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509910
4-(2-fluorophenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 31264886
N-pyridin-2-yl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 122499786
4-(4-ethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 29457657
3-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 10287537
(E)-3-[2-(difluoromethoxy)phenyl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 16594041
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42645487
N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509762
4-[5-(2-methylpropyl)-1H-pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 46836654

Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 30296649) is 4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine is FC(F)Oc1ccc(-c2csc(Nc3ccccn3)n2)c(OC(F)F)c1.
What is the InChIKey of 4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is AGRRUSCWSNGGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O2S/c17-14(18)24-9-4-5-10(12(7-9)25-15(19)20)11-8-26-16(22-11)23-13-3-1-2-6-21-13/h1-8,14-15H,(H,21,22,23).
What are the key properties of 4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 385.34 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis(difluoromethoxy)phenyl]-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 30296649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).