3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine

C20H21FN6O3S — CID 144972609

IUPAC3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine
SMILESCOc1cnc2c(Nc3cnc(F)c(C4CS(=O)(=O)C(C)(C)C(N)=N4)c3)nccc2c1
InChIInChI=1S/C20H21FN6O3S/c1-20(2)19(22)27-15(10-31(20,28)29)14-7-12(8-25-17(14)21)26-18-16-11(4-5-23-18)6-13(30-3)9-24-16/h4-9,15H,10H2,1-3H3,(H2,22,27)(H,23,26)
InChIKeyOJHHUAYYBWNHIU-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.52
Rot. Bonds4

About 3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine

3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine (PubChem CID 144972609) has the molecular formula C20H21FN6O3S and a molecular weight of 444.49 g/mol. Its IUPAC name is 3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine.

Molecular Properties

Compound Name3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine
PubChem CID144972609
Molecular FormulaC20H21FN6O3S
Molecular Weight444.49 g/mol
Exact Mass444.14
IUPAC Name3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine
SMILESCOc1cnc2c(Nc3cnc(F)c(C4CS(=O)(=O)C(C)(C)C(N)=N4)c3)nccc2c1
InChIInChI=1S/C20H21FN6O3S/c1-20(2)19(22)27-15(10-31(20,28)29)14-7-12(8-25-17(14)21)26-18-16-11(4-5-23-18)6-13(30-3)9-24-16/h4-9,15H,10H2,1-3H3,(H2,22,27)(H,23,26)
InChIKeyOJHHUAYYBWNHIU-UHFFFAOYSA-N
XLogP2.52
TPSA132.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 144972562
(1S,3R)-3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-3,6,6-trimethyl-1-methylimino-1-oxo-2H-1,4-thiazin-5-amine
CID 130404510
(3R,6S)-6-cyclopropyl-3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-3-methyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 118568286
N-[3-[(3R)-5-amino-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-3-yl]-4,5-difluorophenyl]-5-methoxypyridine-2-carboxamide
CID 126634332
(4aR,7aR)-4a-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-3-amine
CID 138722420
(1S,5S,6S)-5-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-5-methyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 90391030
(3R)-3-[2-[(3-but-2-ynoxy-1,7-naphthyridin-8-yl)amino]-5-fluoro-4-pyridinyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 144972593
3-methoxy-N-methyl-1,7-naphthyridin-8-amine
CID 118359512
5-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-5-methyl-2-oxa-4-azabicyclo[4.2.0]oct-3-en-7-yn-3-amine
CID 123927790
8-[3-[5-amino-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile;cyclopropane
CID 144972670
cyclopropane;3-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 144972647
8-[[5-[(4S,5S,6S)-2-amino-6-(difluoromethyl)-4,5,6-trimethyl-5H-1,3-thiazin-4-yl]-6-fluoro-3-pyridinyl]amino]-1,7-naphthyridine-3-carbonitrile
CID 126488451

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine?
The IUPAC name of 3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine (CID 144972609) is 3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine.
What is the SMILES notation for 3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine?
The canonical SMILES for 3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine is COc1cnc2c(Nc3cnc(F)c(C4CS(=O)(=O)C(C)(C)C(N)=N4)c3)nccc2c1.
What is the InChIKey of 3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine?
The InChIKey is OJHHUAYYBWNHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O3S/c1-20(2)19(22)27-15(10-31(20,28)29)14-7-12(8-25-17(14)21)26-18-16-11(4-5-23-18)6-13(30-3)9-24-16/h4-9,15H,10H2,1-3H3,(H2,22,27)(H,23,26).
What are the key properties of 3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine?
3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine has a molecular weight of 444.49 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine is sourced from PubChem (CID 144972609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).