4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one

C11H10F3N3O2S — CID 106379424

IUPAC4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one
SMILESNc1cc(F)c(OC(F)F)cc1NCc1csc(=O)[nH]1
InChIInChI=1S/C11H10F3N3O2S/c12-6-1-7(15)8(2-9(6)19-10(13)14)16-3-5-4-20-11(18)17-5/h1-2,4,10,16H,3,15H2,(H,17,18)
InChIKeyUFOBUIPPBDXOTQ-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.37
Rot. Bonds5

About 4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one

4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379424) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379424
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one
SMILESNc1cc(F)c(OC(F)F)cc1NCc1csc(=O)[nH]1
InChIInChI=1S/C11H10F3N3O2S/c12-6-1-7(15)8(2-9(6)19-10(13)14)16-3-5-4-20-11(18)17-5/h1-2,4,10,16H,3,15H2,(H,17,18)
InChIKeyUFOBUIPPBDXOTQ-UHFFFAOYSA-N
XLogP2.37
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(2-amino-4-chloro-5-fluoroanilino)methyl]-3H-1,3-thiazol-2-one
CID 114181203
2-amino-4-fluoro-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 114181768
4-[(2-amino-5-methoxyanilino)methyl]-3H-1,3-thiazol-2-one
CID 106379499
2-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63592047
3-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]propane-1,2-diol
CID 66176537
4-fluoro-1-N-[(4-fluorophenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63594336
4-(difluoromethoxy)-5-fluoro-2-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 63593157
4-fluoro-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63592421
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
4-fluoro-5-propan-2-yloxy-1-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,2-diamine
CID 64545724
3-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-N,2,2-trimethylpropanamide
CID 106275375
4-[(4-amino-2-methylanilino)methyl]-3H-1,3-thiazol-2-one
CID 106379468

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one (CID 106379424) is 4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one is Nc1cc(F)c(OC(F)F)cc1NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is UFOBUIPPBDXOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c12-6-1-7(15)8(2-9(6)19-10(13)14)16-3-5-4-20-11(18)17-5/h1-2,4,10,16H,3,15H2,(H,17,18).
What are the key properties of 4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one?
4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 305.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-5-(difluoromethoxy)-4-fluoroanilino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).