(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid

C15H12Cl2N2O4S — CID 125119411

IUPAC(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H12Cl2N2O4S/c16-8-1-2-9(10(17)5-8)13-18-11(7-24-13)14(20)19-3-4-23-6-12(19)15(21)22/h1-2,5,7,12H,3-4,6H2,(H,21,22)/t12-/m1/s1
InChIKeyNZVGCWWBTJZMLQ-GFCCVEGCSA-N
MW387.24 g/mol
LogP3.04
Rot. Bonds3

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

(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid (PubChem CID 125119411) has the molecular formula C15H12Cl2N2O4S and a molecular weight of 387.24 g/mol. Its IUPAC name is (3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
PubChem CID125119411
Molecular FormulaC15H12Cl2N2O4S
Molecular Weight387.24 g/mol
Exact Mass385.99
IUPAC Name(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H12Cl2N2O4S/c16-8-1-2-9(10(17)5-8)13-18-11(7-24-13)14(20)19-3-4-23-6-12(19)15(21)22/h1-2,5,7,12H,3-4,6H2,(H,21,22)/t12-/m1/s1
InChIKeyNZVGCWWBTJZMLQ-GFCCVEGCSA-N
XLogP3.04
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid (CID 125119411) is (3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid is O=C(O)[C@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of (3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is NZVGCWWBTJZMLQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H12Cl2N2O4S/c16-8-1-2-9(10(17)5-8)13-18-11(7-24-13)14(20)19-3-4-23-6-12(19)15(21)22/h1-2,5,7,12H,3-4,6H2,(H,21,22)/t12-/m1/s1.
What are the key properties of (3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid?
(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 387.24 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125119411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).