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

C17H16ClF2N5O3S — CID 51352404

IUPACN-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide
SMILESCN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)c(F)cc2F)CS1(=O)=O
InChIInChI=1S/C17H16ClF2N5O3S/c1-17(8-29(27,28)25(2)16(21)24-17)10-5-14(12(20)6-11(10)19)23-15(26)13-4-3-9(18)7-22-13/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,26)/t17-/m0/s1
InChIKeySENWNSUNNAJVCK-KRWDZBQOSA-N
MW443.86 g/mol
LogP2.07
Rot. Bonds3

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

N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide (PubChem CID 51352404) has the molecular formula C17H16ClF2N5O3S and a molecular weight of 443.86 g/mol. Its IUPAC name is N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide
PubChem CID51352404
Molecular FormulaC17H16ClF2N5O3S
Molecular Weight443.86 g/mol
Exact Mass443.06
IUPAC NameN-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide
SMILESCN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)c(F)cc2F)CS1(=O)=O
InChIInChI=1S/C17H16ClF2N5O3S/c1-17(8-29(27,28)25(2)16(21)24-17)10-5-14(12(20)6-11(10)19)23-15(26)13-4-3-9(18)7-22-13/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,26)/t17-/m0/s1
InChIKeySENWNSUNNAJVCK-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-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide with MolForge

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Related Compounds

N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 75603740
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-chloropyridine-2-carboxamide
CID 88594219
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 77411750
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorophenyl]-5-methylpyrazine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide;N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide;bis(N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyridine-2-carboxamide)
CID 158158678
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-deuteriopyridine-2-carboxamide
CID 88594250
N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyridine-2-carboxamide
CID 88594175
N-[3-[(5R)-3-amino-5-methyl-1,1-dioxo-2-(trideuteriomethyl)-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-5-methylpyrazine-2-carboxamide
CID 88594174
N-[3-[(3R)-5-amino-3-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 72548199
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-1-benzothiophen-5-yl]-5-fluoropyridine-2-carboxamide
CID 175026019
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-chloro-1,3-benzoxazole-2-carboxamide
CID 175310985
(5R)-5-[5-[(Z)-2-(5-bromo-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 135126437
(5R)-5-(2,3-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 118566166

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide (CID 51352404) is N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide is CN1C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)c(F)cc2F)CS1(=O)=O.
What is the InChIKey of N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide?
The InChIKey is SENWNSUNNAJVCK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16ClF2N5O3S/c1-17(8-29(27,28)25(2)16(21)24-17)10-5-14(12(20)6-11(10)19)23-15(26)13-4-3-9(18)7-22-13/h3-7H,8H2,1-2H3,(H2,21,24)(H,23,26)/t17-/m0/s1.
What are the key properties of N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide?
N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-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-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 51352404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).