ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate

C21H24N4O5S2 — CID 87441731

IUPACethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(NC(=O)c3sccc3CCCN3CCOCC3)n2)on1
InChIInChI=1S/C21H24N4O5S2/c1-2-29-20(27)15-12-17(30-24-15)16-13-32-21(22-16)23-19(26)18-14(5-11-31-18)4-3-6-25-7-9-28-10-8-25/h5,11-13H,2-4,6-10H2,1H3,(H,22,23,26)
InChIKeyFBPCUMCZMXGLPH-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.55
Rot. Bonds9

About ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate

ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate (PubChem CID 87441731) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
PubChem CID87441731
Molecular FormulaC21H24N4O5S2
Molecular Weight476.58 g/mol
Exact Mass476.12
IUPAC Nameethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(NC(=O)c3sccc3CCCN3CCOCC3)n2)on1
InChIInChI=1S/C21H24N4O5S2/c1-2-29-20(27)15-12-17(30-24-15)16-13-32-21(22-16)23-19(26)18-14(5-11-31-18)4-3-6-25-7-9-28-10-8-25/h5,11-13H,2-4,6-10H2,1H3,(H,22,23,26)
InChIKeyFBPCUMCZMXGLPH-UHFFFAOYSA-N
XLogP3.55
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate with MolForge

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Related Compounds

2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 87440950
N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide
CID 87441462
3-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 68502987
ethyl 5-[5-(3-morpholin-4-ylpropylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950045
2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid
CID 71111197
2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 84555624
ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333508
ethyl 5-[2-(3-methylsulfanylanilino)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 122183965
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 4796771
5-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-propylthiophene-2-carboxamide
CID 29324093
ethyl 5-[2-[1-[4-(carbamothioylamino)benzoyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 3752281
methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 113306717

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate (CID 87441731) is ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2csc(NC(=O)c3sccc3CCCN3CCOCC3)n2)on1.
What is the InChIKey of ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is FBPCUMCZMXGLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-2-29-20(27)15-12-17(30-24-15)16-13-32-21(22-16)23-19(26)18-14(5-11-31-18)4-3-6-25-7-9-28-10-8-25/h5,11-13H,2-4,6-10H2,1H3,(H,22,23,26).
What are the key properties of ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 476.58 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 87441731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).