5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid

C11H14N2O4S — CID 114267590

IUPAC5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(NCCC1CCOC1)c1cnc(C(=O)O)s1
InChIInChI=1S/C11H14N2O4S/c14-9(8-5-13-10(18-8)11(15)16)12-3-1-7-2-4-17-6-7/h5,7H,1-4,6H2,(H,12,14)(H,15,16)
InChIKeyVRIXWUDLFBUHSE-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.00
Rot. Bonds5

About 5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid

5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 114267590) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid
PubChem CID114267590
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(NCCC1CCOC1)c1cnc(C(=O)O)s1
InChIInChI=1S/C11H14N2O4S/c14-9(8-5-13-10(18-8)11(15)16)12-3-1-7-2-4-17-6-7/h5,7H,1-4,6H2,(H,12,14)(H,15,16)
InChIKeyVRIXWUDLFBUHSE-UHFFFAOYSA-N
XLogP1.00
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetyl-N-[2-(oxan-3-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 122561636
5-chloro-N-[2-(oxolan-3-yl)ethyl]thiophene-2-carboxamide
CID 91776294
5-(cyclobutylcarbamoyl)-1,3-thiazole-2-carboxylic acid
CID 130505258
3-chloro-N-[2-[(3R)-oxolan-3-yl]ethyl]pyridine-4-carboxamide
CID 124679731
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
2-[4-[2-(oxolan-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 114131907
4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415090
N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121494638
4-methoxy-N-[2-(oxolan-3-yl)ethyl]pyridine-2-carboxamide
CID 122570420
5-[(2-methylcyclopentyl)methylcarbamoyl]-1,3-thiazole-2-carboxylic acid
CID 114267579
2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219715
6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide
CID 90647648

Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid (CID 114267590) is 5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid is O=C(NCCC1CCOC1)c1cnc(C(=O)O)s1.
What is the InChIKey of 5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is VRIXWUDLFBUHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-9(8-5-13-10(18-8)11(15)16)12-3-1-7-2-4-17-6-7/h5,7H,1-4,6H2,(H,12,14)(H,15,16).
What are the key properties of 5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid?
5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 114267590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).