2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid

C23H25N3O5S2 — CID 87440950

IUPAC2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2csc(NC(=O)c3sccc3CCCN3CCOCC3)n2)c1
InChIInChI=1S/C23H25N3O5S2/c27-20(28)14-31-18-5-1-3-17(13-18)19-15-33-23(24-19)25-22(29)21-16(6-12-32-21)4-2-7-26-8-10-30-11-9-26/h1,3,5-6,12-13,15H,2,4,7-11,14H2,(H,27,28)(H,24,25,29)
InChIKeyLGXSIPSQSIIKLN-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.85
Rot. Bonds10

About 2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid

2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid (PubChem CID 87440950) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
PubChem CID87440950
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC Name2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(-c2csc(NC(=O)c3sccc3CCCN3CCOCC3)n2)c1
InChIInChI=1S/C23H25N3O5S2/c27-20(28)14-31-18-5-1-3-17(13-18)19-15-33-23(24-19)25-22(29)21-16(6-12-32-21)4-2-7-26-8-10-30-11-9-26/h1,3,5-6,12-13,15H,2,4,7-11,14H2,(H,27,28)(H,24,25,29)
InChIKeyLGXSIPSQSIIKLN-UHFFFAOYSA-N
XLogP3.85
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid with MolForge

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Related Compounds

ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 87441731
N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide
CID 87441462
2-[3-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 28864738
3-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 68502987
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
2-(2-morpholin-4-ylethylsulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 134064684
N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 171667869
1-(2-morpholin-4-ylethyl)-3-(4-phenyl-1,3-thiazol-2-yl)-1-(3-phenyl-3-thiophen-2-ylpropyl)urea
CID 59499346
1-methyl-N-[2-oxo-2-[[4-[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]amino]ethyl]pyrrole-3-carboxamide
CID 154668170
2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154668811
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089476
N-[4-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 164890391

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid (CID 87440950) is 2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid is O=C(O)COc1cccc(-c2csc(NC(=O)c3sccc3CCCN3CCOCC3)n2)c1.
What is the InChIKey of 2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid?
The InChIKey is LGXSIPSQSIIKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c27-20(28)14-31-18-5-1-3-17(13-18)19-15-33-23(24-19)25-22(29)21-16(6-12-32-21)4-2-7-26-8-10-30-11-9-26/h1,3,5-6,12-13,15H,2,4,7-11,14H2,(H,27,28)(H,24,25,29).
What are the key properties of 2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid?
2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid has a molecular weight of 487.60 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid is sourced from PubChem (CID 87440950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).