3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid

C16H16N2O5S — CID 121397148

IUPAC3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid
SMILESCc1cnc(-c2cc(OC[C@@H]3COCC(=O)N3)cc(C(=O)O)c2)s1
InChIInChI=1S/C16H16N2O5S/c1-9-5-17-15(24-9)10-2-11(16(20)21)4-13(3-10)23-7-12-6-22-8-14(19)18-12/h2-5,12H,6-8H2,1H3,(H,18,19)(H,20,21)/t12-/m0/s1
InChIKeyWKXITLXQLTZWIH-LBPRGKRZSA-N
MW348.38 g/mol
LogP1.71
Rot. Bonds5

About 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid

3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid (PubChem CID 121397148) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid
PubChem CID121397148
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid
SMILESCc1cnc(-c2cc(OC[C@@H]3COCC(=O)N3)cc(C(=O)O)c2)s1
InChIInChI=1S/C16H16N2O5S/c1-9-5-17-15(24-9)10-2-11(16(20)21)4-13(3-10)23-7-12-6-22-8-14(19)18-12/h2-5,12H,6-8H2,1H3,(H,18,19)(H,20,21)/t12-/m0/s1
InChIKeyWKXITLXQLTZWIH-LBPRGKRZSA-N
XLogP1.71
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid 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

US10174016, Example 86
CID 121397310
US10174016, Example 91
CID 121397502
Tert-butyl 3-fluoro-3-[[3-methoxycarbonyl-5-(5-methyl-1,3-thiazol-2-yl)phenoxy]methyl]azetidine-1-carboxylate
CID 121397205
3-(Oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzoic acid
CID 121397236
3-[1-[(2-Methylpropan-2-yl)oxycarbonyl]-2-(trifluoromethyl)piperidin-4-yl]oxy-5-(5-methyl-1,3-thiazol-2-yl)benzoic acid
CID 121397377
3-[[3-Fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)benzoic acid
CID 121397436
Methyl 3-(5-methyl-1,3-thiazol-2-yl)-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxybenzoate
CID 121397459
Methyl 3-[1-(2,2-difluoroethyl)piperidin-4-yl]oxy-5-(5-methyl-1,3-thiazol-2-yl)benzoate
CID 121397483
Methyl 3-(oxan-4-ylmethoxy)-5-[5-(trifluoromethyl)-1,3-thiazol-2-yl]benzoate
CID 121397546
3-[3-Fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-5-(5-methyl-1,3-thiazol-2-yl)benzoic acid
CID 121397621
3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-morpholin-2-yl]methoxy]benzoic acid;2,2,2-trifluoroacetic acid
CID 121397628
3-[[4,4-Difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-5-(5-methyl-1,3-thiazol-2-yl)benzoic acid
CID 121397647

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid?
The IUPAC name of 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid (CID 121397148) is 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid.
What is the SMILES notation for 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid?
The canonical SMILES for 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid is Cc1cnc(-c2cc(OC[C@@H]3COCC(=O)N3)cc(C(=O)O)c2)s1.
What is the InChIKey of 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid?
The InChIKey is WKXITLXQLTZWIH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-9-5-17-15(24-9)10-2-11(16(20)21)4-13(3-10)23-7-12-6-22-8-14(19)18-12/h2-5,12H,6-8H2,1H3,(H,18,19)(H,20,21)/t12-/m0/s1.
What are the key properties of 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid?
3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid has a molecular weight of 348.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-thiazol-2-yl)-5-[[(3S)-5-oxomorpholin-3-yl]methoxy]benzoic acid is sourced from PubChem (CID 121397148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).