methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate

C17H19N3O6S2 — CID 90528236

IUPACmethyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate
SMILESCCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1C(=O)OC)CC2
InChIInChI=1S/C17H19N3O6S2/c1-3-26-17(22)19-16-18-12-8-9-20(10-13(12)27-16)28(23,24)14-7-5-4-6-11(14)15(21)25-2/h4-7H,3,8-10H2,1-2H3,(H,18,19,22)
InChIKeyIZAIDBUMEBPEOK-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.25
Rot. Bonds5

About methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate

methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate (PubChem CID 90528236) has the molecular formula C17H19N3O6S2 and a molecular weight of 425.49 g/mol. Its IUPAC name is methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate
PubChem CID90528236
Molecular FormulaC17H19N3O6S2
Molecular Weight425.49 g/mol
Exact Mass425.07
IUPAC Namemethyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate
SMILESCCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1C(=O)OC)CC2
InChIInChI=1S/C17H19N3O6S2/c1-3-26-17(22)19-16-18-12-8-9-20(10-13(12)27-16)28(23,24)14-7-5-4-6-11(14)15(21)25-2/h4-7H,3,8-10H2,1-2H3,(H,18,19,22)
InChIKeyIZAIDBUMEBPEOK-UHFFFAOYSA-N
XLogP2.25
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[5-(2-fluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 71788122
methyl 3-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]thiophene-2-carboxylate
CID 71788127
ethyl N-[5-(2-nitrophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528197
ethyl N-[5-(2,6-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528219
ethyl N-[5-(4-chlorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90528184
methyl N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529167
ethyl N-[5-(2-ethoxybenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90527850
methyl N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529195
methyl N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529206
1-cyclopentyl-3-[5-(2-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 90529704
methyl N-[5-(2,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529220
ethyl N-[5-(2-ethylsulfanylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 71788102

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate?
The IUPAC name of methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate (CID 90528236) is methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate.
What is the SMILES notation for methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate?
The canonical SMILES for methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate is CCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)c1ccccc1C(=O)OC)CC2.
What is the InChIKey of methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate?
The InChIKey is IZAIDBUMEBPEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6S2/c1-3-26-17(22)19-16-18-12-8-9-20(10-13(12)27-16)28(23,24)14-7-5-4-6-11(14)15(21)25-2/h4-7H,3,8-10H2,1-2H3,(H,18,19,22).
What are the key properties of methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate?
methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate has a molecular weight of 425.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(ethoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]benzoate is sourced from PubChem (CID 90528236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).