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

C18H19F2N3O2S — CID 118513519

IUPAC1-[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
SMILESCC(=O)c1cc([C@@]2(C)C[C@@H](c3c(C)noc3C)SC(N)=N2)c(F)cc1F
InChIInChI=1S/C18H19F2N3O2S/c1-8-16(10(3)25-23-8)15-7-18(4,22-17(21)26-15)12-5-11(9(2)24)13(19)6-14(12)20/h5-6,15H,7H2,1-4H3,(H2,21,22)/t15-,18+/m0/s1
InChIKeyAKGDKQQWPWDRTR-MAUKXSAKSA-N
MW379.43 g/mol
LogP4.18
Rot. Bonds3

About 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

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 (PubChem CID 118513519) has the molecular formula C18H19F2N3O2S and a molecular weight of 379.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID118513519
Molecular FormulaC18H19F2N3O2S
Molecular Weight379.43 g/mol
Exact Mass379.12
IUPAC Name1-[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
SMILESCC(=O)c1cc([C@@]2(C)C[C@@H](c3c(C)noc3C)SC(N)=N2)c(F)cc1F
InChIInChI=1S/C18H19F2N3O2S/c1-8-16(10(3)25-23-8)15-7-18(4,22-17(21)26-15)12-5-11(9(2)24)13(19)6-14(12)20/h5-6,15H,7H2,1-4H3,(H2,21,22)/t15-,18+/m0/s1
InChIKeyAKGDKQQWPWDRTR-MAUKXSAKSA-N
XLogP4.18
TPSA81.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)c1cc([C@@]2(C)C[C@@H](c3c(C)noc3C)SC(N)=N2)c(F)cc1F.
What is the InChIKey of 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?
The InChIKey is AKGDKQQWPWDRTR-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H19F2N3O2S/c1-8-16(10(3)25-23-8)15-7-18(4,22-17(21)26-15)12-5-11(9(2)24)13(19)6-14(12)20/h5-6,15H,7H2,1-4H3,(H2,21,22)/t15-,18+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 379.43 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118513519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).