2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid

C12H18N2O3S — CID 62764967

IUPAC2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N2CCOCC2(C)C)sc1C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-4-8-9(10(15)16)18-11(13-8)14-5-6-17-7-12(14,2)3/h4-7H2,1-3H3,(H,15,16)
InChIKeyPQEYVWMHURTTPN-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.02
Rot. Bonds3

About 2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid

2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62764967) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID62764967
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(N2CCOCC2(C)C)sc1C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-4-8-9(10(15)16)18-11(13-8)14-5-6-17-7-12(14,2)3/h4-7H2,1-3H3,(H,15,16)
InChIKeyPQEYVWMHURTTPN-UHFFFAOYSA-N
XLogP2.02
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 62764967) is 2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid is CCc1nc(N2CCOCC2(C)C)sc1C(=O)O.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is PQEYVWMHURTTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-8-9(10(15)16)18-11(13-8)14-5-6-17-7-12(14,2)3/h4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 270.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62764967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).