N-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide

C16H15F2N5O3S — CID 130394739

IUPACN-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
SMILESCN1C(N)=NC(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C16H15F2N5O3S/c1-23-16(19)22-14(8-27(23,25)26)11-6-10(3-4-12(11)18)21-15(24)13-5-2-9(17)7-20-13/h2-7,14H,8H2,1H3,(H2,19,22)(H,21,24)
InChIKeyXDQSYEIYBGGKED-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.24
Rot. Bonds3

About N-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide

N-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide (PubChem CID 130394739) has the molecular formula C16H15F2N5O3S and a molecular weight of 395.39 g/mol. Its IUPAC name is N-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
PubChem CID130394739
Molecular FormulaC16H15F2N5O3S
Molecular Weight395.39 g/mol
Exact Mass395.09
IUPAC NameN-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
SMILESCN1C(N)=NC(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C16H15F2N5O3S/c1-23-16(19)22-14(8-27(23,25)26)11-6-10(3-4-12(11)18)21-15(24)13-5-2-9(17)7-20-13/h2-7,14H,8H2,1H3,(H2,19,22)(H,21,24)
InChIKeyXDQSYEIYBGGKED-UHFFFAOYSA-N
XLogP1.24
TPSA117.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(5-amino-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 126634016
N-[3-(6-acetyl-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-pyrrolo[3,4-e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 78077554
5-[5-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorophenyl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
CID 145126548
N-[3-[(4R)-6-amino-2,7,7-trimethyl-1,1-dioxo-3,4-dihydro-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 155543145
N-[3-[(4aS)-3-amino-2-methyl-1,1,6-trioxo-7,7a-dihydro-5H-cyclopenta[e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 138722346
N-[3-(3-amino-2,7-dimethyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 78077777
tert-butyl N-[6-(ethylaminomethyl)-5-[2-fluoro-5-[(5-fluoropyridine-2-carbonyl)amino]phenyl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-yl]carbamate
CID 137468825
N-[3-[5-amino-6-(3-fluorophenyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 126633602
N-[3-(3-amino-2-methyl-1,1-dioxo-5,6,7,8a-tetrahydropyrano[3,2-e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 123957946
N-[3-[5-amino-6-(cyclopropylmethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 126633941
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-(3-amino-1,1-dihydroxy-2-methyl-6-oxo-7,7a-dihydro-5H-cyclopenta[e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 137356208

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of N-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide (CID 130394739) is N-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide is CN1C(N)=NC(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O.
What is the InChIKey of N-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is XDQSYEIYBGGKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O3S/c1-23-16(19)22-14(8-27(23,25)26)11-6-10(3-4-12(11)18)21-15(24)13-5-2-9(17)7-20-13/h2-7,14H,8H2,1H3,(H2,19,22)(H,21,24).
What are the key properties of N-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide?
N-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 130394739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).