4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid

C16H16N2O4S — CID 119215888

IUPAC4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C16H16N2O4S/c1-10-13(23-14(17-10)11-5-3-2-4-6-11)15(19)18-7-8-22-9-12(18)16(20)21/h2-6,12H,7-9H2,1H3,(H,20,21)
InChIKeyBUMYNJOZSZUAJL-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.04
Rot. Bonds3

About 4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid

4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid (PubChem CID 119215888) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
PubChem CID119215888
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C16H16N2O4S/c1-10-13(23-14(17-10)11-5-3-2-4-6-11)15(19)18-7-8-22-9-12(18)16(20)21/h2-6,12H,7-9H2,1H3,(H,20,21)
InChIKeyBUMYNJOZSZUAJL-UHFFFAOYSA-N
XLogP2.04
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid (CID 119215888) is 4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid is Cc1nc(-c2ccccc2)sc1C(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is BUMYNJOZSZUAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10-13(23-14(17-10)11-5-3-2-4-6-11)15(19)18-7-8-22-9-12(18)16(20)21/h2-6,12H,7-9H2,1H3,(H,20,21).
What are the key properties of 4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid?
4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 332.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 119215888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).