5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

C19H18F2N6O2S2 — CID 175252502

IUPAC5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(C)(c2cc(Nc3nc(-c4ccc(F)cn4)cs3)ccc2F)CS1(=O)=O
InChIInChI=1S/C19H18F2N6O2S2/c1-19(10-31(28,29)27(2)17(22)26-19)13-7-12(4-5-14(13)21)24-18-25-16(9-30-18)15-6-3-11(20)8-23-15/h3-9H,10H2,1-2H3,(H2,22,26)(H,24,25)
InChIKeyUWCOLRCQMZVKOW-UHFFFAOYSA-N
MW464.52 g/mol
LogP3.03
Rot. Bonds4

About 5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 175252502) has the molecular formula C19H18F2N6O2S2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID175252502
Molecular FormulaC19H18F2N6O2S2
Molecular Weight464.52 g/mol
Exact Mass464.09
IUPAC Name5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(C)(c2cc(Nc3nc(-c4ccc(F)cn4)cs3)ccc2F)CS1(=O)=O
InChIInChI=1S/C19H18F2N6O2S2/c1-19(10-31(28,29)27(2)17(22)26-19)13-7-12(4-5-14(13)21)24-18-25-16(9-30-18)15-6-3-11(20)8-23-15/h3-9H,10H2,1-2H3,(H2,22,26)(H,24,25)
InChIKeyUWCOLRCQMZVKOW-UHFFFAOYSA-N
XLogP3.03
TPSA113.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-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-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of 5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 175252502) is 5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for 5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for 5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is CN1C(N)=NC(C)(c2cc(Nc3nc(-c4ccc(F)cn4)cs3)ccc2F)CS1(=O)=O.
What is the InChIKey of 5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is UWCOLRCQMZVKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O2S2/c1-19(10-31(28,29)27(2)17(22)26-19)13-7-12(4-5-14(13)21)24-18-25-16(9-30-18)15-6-3-11(20)8-23-15/h3-9H,10H2,1-2H3,(H2,22,26)(H,24,25).
What are the key properties of 5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 464.52 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-5-[[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]amino]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 175252502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).