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

C16H18F2N6O4S2 — CID 126714995

IUPACN-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
SMILESC[C@H]1[C@@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)N=C(N)N(C)S1(=O)=O
InChIInChI=1S/C16H18F2N6O4S2/c1-8-16(2,23-15(19)24(3)30(8,26)27)13-22-11(7-29-13)21-12(25)10-5-4-9(6-20-10)28-14(17)18/h4-8,14H,1-3H3,(H2,19,23)(H,21,25)/t8-,16-/m0/s1
InChIKeyQPMRFMMLBPAWFG-PWJLMRLQSA-N
MW460.49 g/mol
LogP1.59
Rot. Bonds5

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

N-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (PubChem CID 126714995) has the molecular formula C16H18F2N6O4S2 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
PubChem CID126714995
Molecular FormulaC16H18F2N6O4S2
Molecular Weight460.49 g/mol
Exact Mass460.08
IUPAC NameN-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
SMILESC[C@H]1[C@@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)N=C(N)N(C)S1(=O)=O
InChIInChI=1S/C16H18F2N6O4S2/c1-8-16(2,23-15(19)24(3)30(8,26)27)13-22-11(7-29-13)21-12(25)10-5-4-9(6-20-10)28-14(17)18/h4-8,14H,1-3H3,(H2,19,23)(H,21,25)/t8-,16-/m0/s1
InChIKeyQPMRFMMLBPAWFG-PWJLMRLQSA-N
XLogP1.59
TPSA139.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-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 N-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (CID 126714995) is N-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-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 N-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide is C[C@H]1[C@@](C)(c2nc(NC(=O)c3ccc(OC(F)F)cn3)cs2)N=C(N)N(C)S1(=O)=O.
What is the InChIKey of N-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The InChIKey is QPMRFMMLBPAWFG-PWJLMRLQSA-N. The full InChI is InChI=1S/C16H18F2N6O4S2/c1-8-16(2,23-15(19)24(3)30(8,26)27)13-22-11(7-29-13)21-12(25)10-5-4-9(6-20-10)28-14(17)18/h4-8,14H,1-3H3,(H2,19,23)(H,21,25)/t8-,16-/m0/s1.
What are the key properties of N-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
N-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-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 460.49 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5S,6S)-3-amino-2,5,6-trimethyl-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 126714995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).