ethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate

C18H23N3O4S2 — CID 87441417

IUPACethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2sccc2CCCN2CCOCC2)n1
InChIInChI=1S/C18H23N3O4S2/c1-2-25-17(23)14-12-27-18(19-14)20-16(22)15-13(5-11-26-15)4-3-6-21-7-9-24-10-8-21/h5,11-12H,2-4,6-10H2,1H3,(H,19,20,22)
InChIKeyUVHOBIBBKPPUGG-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.90
Rot. Bonds8

About ethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate

ethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 87441417) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is ethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID87441417
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC Nameethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2sccc2CCCN2CCOCC2)n1
InChIInChI=1S/C18H23N3O4S2/c1-2-25-17(23)14-12-27-18(19-14)20-16(22)15-13(5-11-26-15)4-3-6-21-7-9-24-10-8-21/h5,11-12H,2-4,6-10H2,1H3,(H,19,20,22)
InChIKeyUVHOBIBBKPPUGG-UHFFFAOYSA-N
XLogP2.90
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate (CID 87441417) is ethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2sccc2CCCN2CCOCC2)n1.
What is the InChIKey of ethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is UVHOBIBBKPPUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-2-25-17(23)14-12-27-18(19-14)20-16(22)15-13(5-11-26-15)4-3-6-21-7-9-24-10-8-21/h5,11-12H,2-4,6-10H2,1H3,(H,19,20,22).
What are the key properties of ethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 409.53 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 87441417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).