N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide

C17H16ClF2N5O3S — CID 51351866

IUPACN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide
SMILESCN1C(N)=N[C@](C)(c2cc(NC(=O)c3ncc(F)cc3F)ccc2Cl)CS1(=O)=O
InChIInChI=1S/C17H16ClF2N5O3S/c1-17(8-29(27,28)25(2)16(21)24-17)11-6-10(3-4-12(11)18)23-15(26)14-13(20)5-9(19)7-22-14/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,26)/t17-/m0/s1
InChIKeyUIGXNOBBUZCFDO-KRWDZBQOSA-N
MW443.86 g/mol
LogP2.07
Rot. Bonds3

About N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide

N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide (PubChem CID 51351866) has the molecular formula C17H16ClF2N5O3S and a molecular weight of 443.86 g/mol. Its IUPAC name is N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide
PubChem CID51351866
Molecular FormulaC17H16ClF2N5O3S
Molecular Weight443.86 g/mol
Exact Mass443.06
IUPAC NameN-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide
SMILESCN1C(N)=N[C@](C)(c2cc(NC(=O)c3ncc(F)cc3F)ccc2Cl)CS1(=O)=O
InChIInChI=1S/C17H16ClF2N5O3S/c1-17(8-29(27,28)25(2)16(21)24-17)11-6-10(3-4-12(11)18)23-15(26)14-13(20)5-9(19)7-22-14/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,26)/t17-/m0/s1
InChIKeyUIGXNOBBUZCFDO-KRWDZBQOSA-N
XLogP2.07
TPSA117.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.86
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide?
The IUPAC name of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide (CID 51351866) is N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide is CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ncc(F)cc3F)ccc2Cl)CS1(=O)=O.
What is the InChIKey of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide?
The InChIKey is UIGXNOBBUZCFDO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16ClF2N5O3S/c1-17(8-29(27,28)25(2)16(21)24-17)11-6-10(3-4-12(11)18)23-15(26)14-13(20)5-9(19)7-22-14/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,26)/t17-/m0/s1.
What are the key properties of N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide?
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide has a molecular weight of 443.86 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-chlorophenyl]-3,5-difluoropyridine-2-carboxamide is sourced from PubChem (CID 51351866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).