N-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

C15H13F2N3O2S — CID 42478160

IUPACN-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESO=C(C[C@H]1CSc2nccc(=O)n21)NCc1c(F)cccc1F
InChIInChI=1S/C15H13F2N3O2S/c16-11-2-1-3-12(17)10(11)7-19-13(21)6-9-8-23-15-18-5-4-14(22)20(9)15/h1-5,9H,6-8H2,(H,19,21)/t9-/m0/s1
InChIKeyJBYYWXHIXFHXCJ-VIFPVBQESA-N
MW337.35 g/mol
LogP1.87
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

N-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (PubChem CID 42478160) has the molecular formula C15H13F2N3O2S and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
PubChem CID42478160
Molecular FormulaC15H13F2N3O2S
Molecular Weight337.35 g/mol
Exact Mass337.07
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESO=C(C[C@H]1CSc2nccc(=O)n21)NCc1c(F)cccc1F
InChIInChI=1S/C15H13F2N3O2S/c16-11-2-1-3-12(17)10(11)7-19-13(21)6-9-8-23-15-18-5-4-14(22)20(9)15/h1-5,9H,6-8H2,(H,19,21)/t9-/m0/s1
InChIKeyJBYYWXHIXFHXCJ-VIFPVBQESA-N
XLogP1.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (CID 42478160) is N-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is O=C(C[C@H]1CSc2nccc(=O)n21)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The InChIKey is JBYYWXHIXFHXCJ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13F2N3O2S/c16-11-2-1-3-12(17)10(11)7-19-13(21)6-9-8-23-15-18-5-4-14(22)20(9)15/h1-5,9H,6-8H2,(H,19,21)/t9-/m0/s1.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
N-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide has a molecular weight of 337.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 42478160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).