2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid

C15H16N2O3S — CID 79077657

IUPAC2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCN1CCOC(c2nc(C(=O)O)c(-c3ccccc3)s2)C1
InChIInChI=1S/C15H16N2O3S/c1-17-7-8-20-11(9-17)14-16-12(15(18)19)13(21-14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,18,19)
InChIKeyTWAPKEYEBBGFRT-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.51
Rot. Bonds3

About 2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid

2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 79077657) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID79077657
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCN1CCOC(c2nc(C(=O)O)c(-c3ccccc3)s2)C1
InChIInChI=1S/C15H16N2O3S/c1-17-7-8-20-11(9-17)14-16-12(15(18)19)13(21-14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,18,19)
InChIKeyTWAPKEYEBBGFRT-UHFFFAOYSA-N
XLogP2.51
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 79077657) is 2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid is CN1CCOC(c2nc(C(=O)O)c(-c3ccccc3)s2)C1.
What is the InChIKey of 2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is TWAPKEYEBBGFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-17-7-8-20-11(9-17)14-16-12(15(18)19)13(21-14)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,18,19).
What are the key properties of 2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-2-yl)-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 79077657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).