5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine

C17H11F4N3O2S — CID 71473962

IUPAC5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc2c(cc1-c1cnc(NCc3c(F)cncc3F)s1)OC(F)(F)O2
InChIInChI=1S/C17H11F4N3O2S/c1-8-2-13-14(26-17(20,21)25-13)3-9(8)15-7-24-16(27-15)23-4-10-11(18)5-22-6-12(10)19/h2-3,5-7H,4H2,1H3,(H,23,24)
InChIKeyRFWHFJFXMIYHQX-UHFFFAOYSA-N
MW397.35 g/mol
LogP4.73
Rot. Bonds4

About 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine

5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine (PubChem CID 71473962) has the molecular formula C17H11F4N3O2S and a molecular weight of 397.35 g/mol. Its IUPAC name is 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine
PubChem CID71473962
Molecular FormulaC17H11F4N3O2S
Molecular Weight397.35 g/mol
Exact Mass397.05
IUPAC Name5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc2c(cc1-c1cnc(NCc3c(F)cncc3F)s1)OC(F)(F)O2
InChIInChI=1S/C17H11F4N3O2S/c1-8-2-13-14(26-17(20,21)25-13)3-9(8)15-7-24-16(27-15)23-4-10-11(18)5-22-6-12(10)19/h2-3,5-7H,4H2,1H3,(H,23,24)
InChIKeyRFWHFJFXMIYHQX-UHFFFAOYSA-N
XLogP4.73
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine (CID 71473962) is 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine is Cc1cc2c(cc1-c1cnc(NCc3c(F)cncc3F)s1)OC(F)(F)O2.
What is the InChIKey of 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is RFWHFJFXMIYHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O2S/c1-8-2-13-14(26-17(20,21)25-13)3-9(8)15-7-24-16(27-15)23-4-10-11(18)5-22-6-12(10)19/h2-3,5-7H,4H2,1H3,(H,23,24).
What are the key properties of 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine?
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 397.35 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-[(3,5-difluoro-4-pyridinyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 71473962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).