5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid

C11H14N2O4S — CID 102688301

IUPAC5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCc1ncc(CNC(=O)C2CCC(C(=O)O)O2)s1
InChIInChI=1S/C11H14N2O4S/c1-6-12-4-7(18-6)5-13-10(14)8-2-3-9(17-8)11(15)16/h4,8-9H,2-3,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyLKIKEHXRDQMAIO-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.70
Rot. Bonds4

About 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid

5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688301) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102688301
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCc1ncc(CNC(=O)C2CCC(C(=O)O)O2)s1
InChIInChI=1S/C11H14N2O4S/c1-6-12-4-7(18-6)5-13-10(14)8-2-3-9(17-8)11(15)16/h4,8-9H,2-3,5H2,1H3,(H,13,14)(H,15,16)
InChIKeyLKIKEHXRDQMAIO-UHFFFAOYSA-N
XLogP0.70
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-methylpyrazin-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688468
(2R,5S)-5-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945358
4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390786
N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119861838
3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 61281202
4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 63714175
5-[(4-bromo-2,5-dimethylthiophen-3-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 167915465
(2R,5S)-5-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 106394645
2-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780770
(2R,5S)-5-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945620
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 103598368
(2R,5S)-5-[(1-methylpyrrol-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 106414767

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid (CID 102688301) is 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid is Cc1ncc(CNC(=O)C2CCC(C(=O)O)O2)s1.
What is the InChIKey of 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is LKIKEHXRDQMAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-6-12-4-7(18-6)5-13-10(14)8-2-3-9(17-8)11(15)16/h4,8-9H,2-3,5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid?
5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).