2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide

C19H20F2N4O3S — CID 58442871

IUPAC2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide
SMILESO=C(CN1CCN2[C@@H](CCS2(=O)=O)C1)Nc1ccc(-c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C19H20F2N4O3S/c20-15-7-14(8-16(21)9-15)13-1-2-18(22-10-13)23-19(26)12-24-4-5-25-17(11-24)3-6-29(25,27)28/h1-2,7-10,17H,3-6,11-12H2,(H,22,23,26)/t17-/m0/s1
InChIKeyYHYAHXAGXLSKST-KRWDZBQOSA-N
MW422.46 g/mol
LogP1.68
Rot. Bonds4

About 2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide

2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide (PubChem CID 58442871) has the molecular formula C19H20F2N4O3S and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide
PubChem CID58442871
Molecular FormulaC19H20F2N4O3S
Molecular Weight422.46 g/mol
Exact Mass422.12
IUPAC Name2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide
SMILESO=C(CN1CCN2[C@@H](CCS2(=O)=O)C1)Nc1ccc(-c2cc(F)cc(F)c2)cn1
InChIInChI=1S/C19H20F2N4O3S/c20-15-7-14(8-16(21)9-15)13-1-2-18(22-10-13)23-19(26)12-24-4-5-25-17(11-24)3-6-29(25,27)28/h1-2,7-10,17H,3-6,11-12H2,(H,22,23,26)/t17-/m0/s1
InChIKeyYHYAHXAGXLSKST-KRWDZBQOSA-N
XLogP1.68
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1-propylsulfonylpiperidin-4-yl)acetamide
CID 58442893
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide
CID 67400246
tert-butyl 3-[[5-(3,5-difluorophenyl)-2-pyridinyl]carbamoyl-methylamino]pyrrolidine-1-carboxylate;3-[5-(3,5-difluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)urea
CID 159649404
N-(5-amino-2-pyridinyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide
CID 90369694
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide
CID 135126584
N-[6-(3,5-difluorophenoxy)-3-pyridinyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidine-1-carboxamide
CID 167926842
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111332524
3-[5-(3,5-difluorophenyl)-2-pyridinyl]-1-[(2S)-2-hydroxypropyl]-1-methylurea
CID 156738014
3-ethyl-N-(5-fluoro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
CID 86800008
N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]propanamide
CID 118560751
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119917859
2-[4-[(5-fluoro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 61311404

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide (CID 58442871) is 2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide is O=C(CN1CCN2[C@@H](CCS2(=O)=O)C1)Nc1ccc(-c2cc(F)cc(F)c2)cn1.
What is the InChIKey of 2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide?
The InChIKey is YHYAHXAGXLSKST-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20F2N4O3S/c20-15-7-14(8-16(21)9-15)13-1-2-18(22-10-13)23-19(26)12-24-4-5-25-17(11-24)3-6-29(25,27)28/h1-2,7-10,17H,3-6,11-12H2,(H,22,23,26)/t17-/m0/s1.
What are the key properties of 2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide?
2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide has a molecular weight of 422.46 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS)-1,1-dioxo-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazin-5-yl]-N-[5-(3,5-difluorophenyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 58442871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).