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

C19H22N4O5S — CID 90529038

IUPACethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1CCc2nc(NC(=O)OC)sc2C1
InChIInChI=1S/C19H22N4O5S/c1-3-28-17(25)12-6-4-5-7-13(12)20-16(24)11-23-9-8-14-15(10-23)29-18(21-14)22-19(26)27-2/h4-7H,3,8-11H2,1-2H3,(H,20,24)(H,21,22,26)
InChIKeyAWHQCITZQFVTSI-UHFFFAOYSA-N
MW418.48 g/mol
LogP2.49
Rot. Bonds6

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

ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate (PubChem CID 90529038) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate
PubChem CID90529038
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC Nameethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1CCc2nc(NC(=O)OC)sc2C1
InChIInChI=1S/C19H22N4O5S/c1-3-28-17(25)12-6-4-5-7-13(12)20-16(24)11-23-9-8-14-15(10-23)29-18(21-14)22-19(26)27-2/h4-7H,3,8-11H2,1-2H3,(H,20,24)(H,21,22,26)
InChIKeyAWHQCITZQFVTSI-UHFFFAOYSA-N
XLogP2.49
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl N-[5-[2-(2-fluoroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528028
ethyl N-[5-[2-(naphthalen-1-ylamino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528017
ethyl N-[5-[2-(2-ethoxyanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528041
ethyl 2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
CID 90529105
ethyl 4-[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]piperazine-1-carboxylate
CID 90528996
methyl N-[5-[2-(4-acetylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529041
ethyl N-[5-[2-(3-chloroanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528031
ethyl N-[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528067
methyl N-[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529033
N-(2-ethoxyphenyl)-2-[2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetamide
CID 90530019
ethyl N-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528051
ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate
CID 108995538

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate (CID 90529038) is ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CN1CCc2nc(NC(=O)OC)sc2C1.
What is the InChIKey of ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate?
The InChIKey is AWHQCITZQFVTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-3-28-17(25)12-6-4-5-7-13(12)20-16(24)11-23-9-8-14-15(10-23)29-18(21-14)22-19(26)27-2/h4-7H,3,8-11H2,1-2H3,(H,20,24)(H,21,22,26).
What are the key properties of ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate?
ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate has a molecular weight of 418.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]benzoate is sourced from PubChem (CID 90529038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).