ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

C20H19N3O4S2 — CID 90502721

IUPACethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(NC(=O)C3(c4cc(-c5cccs5)on4)CC3)nc21
InChIInChI=1S/C20H19N3O4S2/c1-2-26-17(24)11-5-6-14-16(11)21-19(29-14)22-18(25)20(7-8-20)15-10-12(27-23-15)13-4-3-9-28-13/h3-4,9-11H,2,5-8H2,1H3,(H,21,22,25)
InChIKeyFWFDIHCMSJYVIS-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.12
Rot. Bonds6

About ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate

ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (PubChem CID 90502721) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
PubChem CID90502721
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC Nameethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
SMILESCCOC(=O)C1CCc2sc(NC(=O)C3(c4cc(-c5cccs5)on4)CC3)nc21
InChIInChI=1S/C20H19N3O4S2/c1-2-26-17(24)11-5-6-14-16(11)21-19(29-14)22-18(25)20(7-8-20)15-10-12(27-23-15)13-4-3-9-28-13/h3-4,9-11H,2,5-8H2,1H3,(H,21,22,25)
InChIKeyFWFDIHCMSJYVIS-UHFFFAOYSA-N
XLogP4.12
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[[1-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 90503918
N-(5-methyl-1,3-thiazol-2-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502740
N-(4-acetamidophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502598
N-(2-methyl-1,3-benzothiazol-5-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502732
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 90502702
N-(3,5-dichlorophenyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502682
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502473
N-(1-adamantyl)-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502699
ethyl 2-(cyclopropylsulfonylamino)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 138673799
ethyl (4R)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate
CID 51896614
N-[4-(acetylsulfamoyl)phenyl]-1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90502612
ethyl 2-(prop-2-enoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate
CID 166419365

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate (CID 90502721) is ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is CCOC(=O)C1CCc2sc(NC(=O)C3(c4cc(-c5cccs5)on4)CC3)nc21.
What is the InChIKey of ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
The InChIKey is FWFDIHCMSJYVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c1-2-26-17(24)11-5-6-14-16(11)21-19(29-14)22-18(25)20(7-8-20)15-10-12(27-23-15)13-4-3-9-28-13/h3-4,9-11H,2,5-8H2,1H3,(H,21,22,25).
What are the key properties of ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate?
ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate has a molecular weight of 429.52 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclopropanecarbonyl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylate is sourced from PubChem (CID 90502721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).