6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

C15H16F2N6O4S2 — CID 126722602

IUPAC6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
SMILESCN1C(N)=N[C@](C)(c2nc(-c3nc(C(N)=O)ccc3OC(F)F)cs2)CS1(=O)=O
InChIInChI=1S/C15H16F2N6O4S2/c1-15(6-29(25,26)23(2)14(19)22-15)12-21-8(5-28-12)10-9(27-13(16)17)4-3-7(20-10)11(18)24/h3-5,13H,6H2,1-2H3,(H2,18,24)(H2,19,22)/t15-/m0/s1
InChIKeyKDYFSCISKBUHDB-HNNXBMFYSA-N
MW446.46 g/mol
LogP0.71
Rot. Bonds5

About 6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (PubChem CID 126722602) has the molecular formula C15H16F2N6O4S2 and a molecular weight of 446.46 g/mol. Its IUPAC name is 6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
PubChem CID126722602
Molecular FormulaC15H16F2N6O4S2
Molecular Weight446.46 g/mol
Exact Mass446.06
IUPAC Name6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
SMILESCN1C(N)=N[C@](C)(c2nc(-c3nc(C(N)=O)ccc3OC(F)F)cs2)CS1(=O)=O
InChIInChI=1S/C15H16F2N6O4S2/c1-15(6-29(25,26)23(2)14(19)22-15)12-21-8(5-28-12)10-9(27-13(16)17)4-3-7(20-10)11(18)24/h3-5,13H,6H2,1-2H3,(H2,18,24)(H2,19,22)/t15-/m0/s1
InChIKeyKDYFSCISKBUHDB-HNNXBMFYSA-N
XLogP0.71
TPSA153.86 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The IUPAC name of 6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (CID 126722602) is 6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The canonical SMILES for 6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide is CN1C(N)=N[C@](C)(c2nc(-c3nc(C(N)=O)ccc3OC(F)F)cs2)CS1(=O)=O.
What is the InChIKey of 6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The InChIKey is KDYFSCISKBUHDB-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16F2N6O4S2/c1-15(6-29(25,26)23(2)14(19)22-15)12-21-8(5-28-12)10-9(27-13(16)17)4-3-7(20-10)11(18)24/h3-5,13H,6H2,1-2H3,(H2,18,24)(H2,19,22)/t15-/m0/s1.
What are the key properties of 6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(5S)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 126722602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).