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

C10H14N2O3S — CID 80568267

IUPAC2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylic acid
SMILESCC1(C)COCCN1c1nc(C(=O)O)cs1
InChIInChI=1S/C10H14N2O3S/c1-10(2)6-15-4-3-12(10)9-11-7(5-16-9)8(13)14/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyHMMWNJYDYDFRKF-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.46
Rot. Bonds2

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

2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 80568267) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID80568267
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylic acid
SMILESCC1(C)COCCN1c1nc(C(=O)O)cs1
InChIInChI=1S/C10H14N2O3S/c1-10(2)6-15-4-3-12(10)9-11-7(5-16-9)8(13)14/h5H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyHMMWNJYDYDFRKF-UHFFFAOYSA-N
XLogP1.46
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.46
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)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylic acid (CID 80568267) is 2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylic acid is CC1(C)COCCN1c1nc(C(=O)O)cs1.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is HMMWNJYDYDFRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-10(2)6-15-4-3-12(10)9-11-7(5-16-9)8(13)14/h5H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylic acid?
2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 1.46, 2 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)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80568267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).