(3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid

C17H18N2O5S — CID 125150030

IUPAC(3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
SMILESCCOc1ccc(-c2nc(C(=O)N3CCOC[C@H]3C(=O)O)cs2)cc1
InChIInChI=1S/C17H18N2O5S/c1-2-24-12-5-3-11(4-6-12)15-18-13(10-25-15)16(20)19-7-8-23-9-14(19)17(21)22/h3-6,10,14H,2,7-9H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyBHPFJQXXSFRKHA-AWEZNQCLSA-N
MW362.41 g/mol
LogP2.13
Rot. Bonds5

About (3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid

(3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid (PubChem CID 125150030) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is (3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
PubChem CID125150030
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name(3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
SMILESCCOc1ccc(-c2nc(C(=O)N3CCOC[C@H]3C(=O)O)cs2)cc1
InChIInChI=1S/C17H18N2O5S/c1-2-24-12-5-3-11(4-6-12)15-18-13(10-25-15)16(20)19-7-8-23-9-14(19)17(21)22/h3-6,10,14H,2,7-9H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyBHPFJQXXSFRKHA-AWEZNQCLSA-N
XLogP2.13
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216582
1-[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55615545
4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216233
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
(3S)-4-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]morpholine-3-carboxylic acid
CID 125153602
4-[2-(1-phenylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119215956
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125133089
4-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 119216541
1-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167150
4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-3-carboxylic acid
CID 119216683
(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125119411
(4-aminopiperidin-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119373031

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid (CID 125150030) is (3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid is CCOc1ccc(-c2nc(C(=O)N3CCOC[C@H]3C(=O)O)cs2)cc1.
What is the InChIKey of (3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is BHPFJQXXSFRKHA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-2-24-12-5-3-11(4-6-12)15-18-13(10-25-15)16(20)19-7-8-23-9-14(19)17(21)22/h3-6,10,14H,2,7-9H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
(3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 362.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125150030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).