4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid

C10H14N2O3S — CID 112641436

IUPAC4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid
SMILESCN(Cc1cncs1)C1COCC1C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-12(3-7-2-11-6-16-7)9-5-15-4-8(9)10(13)14/h2,6,8-9H,3-5H2,1H3,(H,13,14)
InChIKeyWPCCNUOOWFNHLM-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.67
Rot. Bonds4

About 4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid

4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid (PubChem CID 112641436) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid
PubChem CID112641436
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid
SMILESCN(Cc1cncs1)C1COCC1C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-12(3-7-2-11-6-16-7)9-5-15-4-8(9)10(13)14/h2,6,8-9H,3-5H2,1H3,(H,13,14)
InChIKeyWPCCNUOOWFNHLM-UHFFFAOYSA-N
XLogP0.67
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid (CID 112641436) is 4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid is CN(Cc1cncs1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid?
The InChIKey is WPCCNUOOWFNHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-12(3-7-2-11-6-16-7)9-5-15-4-8(9)10(13)14/h2,6,8-9H,3-5H2,1H3,(H,13,14).
What are the key properties of 4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid?
4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 112641436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).