ethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate

C17H20N6O4S — CID 90527597

IUPACethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN1CCc2nc(NC(=O)c3cnccn3)sc2C1
InChIInChI=1S/C17H20N6O4S/c1-2-27-15(25)8-20-14(24)10-23-6-3-11-13(9-23)28-17(21-11)22-16(26)12-7-18-4-5-19-12/h4-5,7H,2-3,6,8-10H2,1H3,(H,20,24)(H,21,22,26)
InChIKeyAQSONEXWCVITAS-UHFFFAOYSA-N
MW404.45 g/mol
LogP0.22
Rot. Bonds7

About ethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate

ethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate (PubChem CID 90527597) has the molecular formula C17H20N6O4S and a molecular weight of 404.45 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate
PubChem CID90527597
Molecular FormulaC17H20N6O4S
Molecular Weight404.45 g/mol
Exact Mass404.13
IUPAC Nameethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN1CCc2nc(NC(=O)c3cnccn3)sc2C1
InChIInChI=1S/C17H20N6O4S/c1-2-27-15(25)8-20-14(24)10-23-6-3-11-13(9-23)28-17(21-11)22-16(26)12-7-18-4-5-19-12/h4-5,7H,2-3,6,8-10H2,1H3,(H,20,24)(H,21,22,26)
InChIKeyAQSONEXWCVITAS-UHFFFAOYSA-N
XLogP0.22
TPSA126.41 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 4-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate
CID 90527590
N-[5-[2-[di(propan-2-yl)amino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527616
N-[5-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527587
N-[5-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527586
N-[5-[2-(4-butylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527563
N-[5-[2-(ethylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyridine-2-carboxamide
CID 90528577
N-[5-[2-(4-nitroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527589
ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
CID 90530579
ethyl 2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
CID 90529105
N-[5-[(4-nitrophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527631
2-(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N-ethylacetamide
CID 90525295
N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527382

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate (CID 90527597) is ethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)CN1CCc2nc(NC(=O)c3cnccn3)sc2C1.
What is the InChIKey of ethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate?
The InChIKey is AQSONEXWCVITAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O4S/c1-2-27-15(25)8-20-14(24)10-23-6-3-11-13(9-23)28-17(21-11)22-16(26)12-7-18-4-5-19-12/h4-5,7H,2-3,6,8-10H2,1H3,(H,20,24)(H,21,22,26).
What are the key properties of ethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate?
ethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate has a molecular weight of 404.45 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate is sourced from PubChem (CID 90527597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).