2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone

C19H21FN2O2S — CID 58057556

IUPAC2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(F)c(C3(C)CCSC(N)=N3)c2)c(C)o1
InChIInChI=1S/C19H21FN2O2S/c1-11-8-14(12(2)24-11)17(23)10-13-4-5-16(20)15(9-13)19(3)6-7-25-18(21)22-19/h4-5,8-9H,6-7,10H2,1-3H3,(H2,21,22)
InChIKeyVZENQMFVLMAMEA-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.13
Rot. Bonds4

About 2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone

2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone (PubChem CID 58057556) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone.

Molecular Properties

Compound Name2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone
PubChem CID58057556
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(F)c(C3(C)CCSC(N)=N3)c2)c(C)o1
InChIInChI=1S/C19H21FN2O2S/c1-11-8-14(12(2)24-11)17(23)10-13-4-5-16(20)15(9-13)19(3)6-7-25-18(21)22-19/h4-5,8-9H,6-7,10H2,1-3H3,(H2,21,22)
InChIKeyVZENQMFVLMAMEA-UHFFFAOYSA-N
XLogP4.13
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone?
The IUPAC name of 2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone (CID 58057556) is 2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone.
What is the SMILES notation for 2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone?
The canonical SMILES for 2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone is Cc1cc(C(=O)Cc2ccc(F)c(C3(C)CCSC(N)=N3)c2)c(C)o1.
What is the InChIKey of 2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone?
The InChIKey is VZENQMFVLMAMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-11-8-14(12(2)24-11)17(23)10-13-4-5-16(20)15(9-13)19(3)6-7-25-18(21)22-19/h4-5,8-9H,6-7,10H2,1-3H3,(H2,21,22).
What are the key properties of 2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone?
2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone has a molecular weight of 360.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(2,5-dimethylfuran-3-yl)ethanone is sourced from PubChem (CID 58057556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).