2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid

C10H14N2O2S — CID 63218436

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC1(C)CCCN1c1ncc(C(=O)O)s1
InChIInChI=1S/C10H14N2O2S/c1-10(2)4-3-5-12(10)9-11-6-7(15-9)8(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyYMFPESBIVXXVTP-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.22
Rot. Bonds2

About 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid

2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 63218436) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID63218436
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC1(C)CCCN1c1ncc(C(=O)O)s1
InChIInChI=1S/C10H14N2O2S/c1-10(2)4-3-5-12(10)9-11-6-7(15-9)8(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyYMFPESBIVXXVTP-UHFFFAOYSA-N
XLogP2.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 63218436) is 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid is CC1(C)CCCN1c1ncc(C(=O)O)s1.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YMFPESBIVXXVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-10(2)4-3-5-12(10)9-11-6-7(15-9)8(13)14/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid?
2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63218436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).