N-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

C23H21FN6O2S — CID 118513501

IUPACN-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESCc1noc(C)c1[C@@H]1C[C@](C)(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)S1
InChIInChI=1S/C23H21FN6O2S/c1-12-20(13(2)32-30-12)19-9-23(3,29-22(26)33-19)16-8-15(5-6-17(16)24)28-21(31)18-7-4-14(10-25)11-27-18/h4-8,11,19H,9H2,1-3H3,(H2,26,29)(H,28,31)/t19-,23+/m0/s1
InChIKeyFDKVCDQFSBMMBW-WMZHIEFXSA-N
MW464.53 g/mol
LogP4.36
Rot. Bonds4

About N-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

N-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide (PubChem CID 118513501) has the molecular formula C23H21FN6O2S and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
PubChem CID118513501
Molecular FormulaC23H21FN6O2S
Molecular Weight464.53 g/mol
Exact Mass464.14
IUPAC NameN-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
SMILESCc1noc(C)c1[C@@H]1C[C@](C)(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)S1
InChIInChI=1S/C23H21FN6O2S/c1-12-20(13(2)32-30-12)19-9-23(3,29-22(26)33-19)16-8-15(5-6-17(16)24)28-21(31)18-7-4-14(10-25)11-27-18/h4-8,11,19H,9H2,1-3H3,(H2,26,29)(H,28,31)/t19-,23+/m0/s1
InChIKeyFDKVCDQFSBMMBW-WMZHIEFXSA-N
XLogP4.36
TPSA130.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2,4-difluorophenyl]ethanone
CID 118513519
N-[3-[(3R)-5-amino-3-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 72548198
(4S,6S)-4-[2,4-difluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 90242363
tert-butyl N-[(4S)-4-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-fluorophenyl]-6-(2,2-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 144615602
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 59250592
N-[3-[(4aS,5S,8aS)-2-amino-5-fluoro-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 45279684
N-[3-[(4aS)-2-amino-5-fluoro-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 67217181
N-[3-[(4aS,5S,7aR)-2-amino-5-ethyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 123826070
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6-oxo-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 67235585
N-[3-[(4S,5R,6R)-2-amino-5-fluoro-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 90303123
N-[3-[(4aS)-2-amino-5-(1,1-difluoroethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 139364835
5-cyano-N-(4-fluoro-3-methylphenyl)pyridine-2-carboxamide
CID 63716731

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide (CID 118513501) is N-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide is Cc1noc(C)c1[C@@H]1C[C@](C)(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)S1.
What is the InChIKey of N-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
The InChIKey is FDKVCDQFSBMMBW-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H21FN6O2S/c1-12-20(13(2)32-30-12)19-9-23(3,29-22(26)33-19)16-8-15(5-6-17(16)24)28-21(31)18-7-4-14(10-25)11-27-18/h4-8,11,19H,9H2,1-3H3,(H2,26,29)(H,28,31)/t19-,23+/m0/s1.
What are the key properties of N-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide?
N-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R,6S)-2-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 118513501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).