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

C16H20F2N6O4S2 — CID 126714996

IUPACN-[2-[(5S,6S)-3-amino-1,1-dihydroxy-2,5,6-trimethyl-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/C16H20F2N6O4S2/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/h4-8,14,26-27H,1-3H3,(H2,19,23)(H,21,25)/t8-,16-/m0/s1
InChIKeyFKVUZHXNPHDTBQ-PWJLMRLQSA-N
MW462.50 g/mol
LogP2.92
Rot. Bonds5

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

N-[2-[(5S,6S)-3-amino-1,1-dihydroxy-2,5,6-trimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (PubChem CID 126714996) has the molecular formula C16H20F2N6O4S2 and a molecular weight of 462.50 g/mol. Its IUPAC name is N-[2-[(5S,6S)-3-amino-1,1-dihydroxy-2,5,6-trimethyl-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-1,1-dihydroxy-2,5,6-trimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
PubChem CID126714996
Molecular FormulaC16H20F2N6O4S2
Molecular Weight462.50 g/mol
Exact Mass462.10
IUPAC NameN-[2-[(5S,6S)-3-amino-1,1-dihydroxy-2,5,6-trimethyl-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/C16H20F2N6O4S2/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/h4-8,14,26-27H,1-3H3,(H2,19,23)(H,21,25)/t8-,16-/m0/s1
InChIKeyFKVUZHXNPHDTBQ-PWJLMRLQSA-N
XLogP2.92
TPSA146.19 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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

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Related Compounds

Pf-06751979
CID 118435360
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-methoxypyridine-2-carboxamide
CID 118435601
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 118435414
US9605007, Example 1
CID 118435422
US9315520, Example 45
CID 118435524
N-[6-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-5-fluoro-2-pyridinyl]-5-methoxypyridine-2-carboxamide
CID 89094939
US9315520, 1-HCl
CID 118435362
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(fluoromethoxy)pyridine-2-carboxamide
CID 118435370
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoropropoxy)pyridine-2-carboxamide
CID 118435378
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-3-chloro-5-(difluoromethoxy)pyridine-2-carboxamide
CID 118435454
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(2,2-difluoroethoxy)pyridine-2-carboxamide
CID 118435462
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(1,1-difluoroethoxy)pyridine-2-carboxamide
CID 118435495

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5S,6S)-3-amino-1,1-dihydroxy-2,5,6-trimethyl-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-1,1-dihydroxy-2,5,6-trimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide (CID 126714996) is N-[2-[(5S,6S)-3-amino-1,1-dihydroxy-2,5,6-trimethyl-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-1,1-dihydroxy-2,5,6-trimethyl-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-1,1-dihydroxy-2,5,6-trimethyl-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-1,1-dihydroxy-2,5,6-trimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
The InChIKey is FKVUZHXNPHDTBQ-PWJLMRLQSA-N. The full InChI is InChI=1S/C16H20F2N6O4S2/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/h4-8,14,26-27H,1-3H3,(H2,19,23)(H,21,25)/t8-,16-/m0/s1.
What are the key properties of N-[2-[(5S,6S)-3-amino-1,1-dihydroxy-2,5,6-trimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide?
N-[2-[(5S,6S)-3-amino-1,1-dihydroxy-2,5,6-trimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 2.92, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5S,6S)-3-amino-1,1-dihydroxy-2,5,6-trimethyl-6H-1,2,4-thiadiazin-5-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 126714996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).