2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

C11H14N2O4S — CID 129372483

IUPAC2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(C[C@@H]1CCCO1)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C11H14N2O4S/c14-9(4-7-2-1-3-17-7)12-5-10-13-8(6-18-10)11(15)16/h6-7H,1-5H2,(H,12,14)(H,15,16)/t7-/m0/s1
InChIKeyFKURUUXTSFWIOQ-ZETCQYMHSA-N
MW270.31 g/mol
LogP1.03
Rot. Bonds5

About 2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 129372483) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID129372483
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(C[C@@H]1CCCO1)NCc1nc(C(=O)O)cs1
InChIInChI=1S/C11H14N2O4S/c14-9(4-7-2-1-3-17-7)12-5-10-13-8(6-18-10)11(15)16/h6-7H,1-5H2,(H,12,14)(H,15,16)/t7-/m0/s1
InChIKeyFKURUUXTSFWIOQ-ZETCQYMHSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 129372483) is 2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is O=C(C[C@@H]1CCCO1)NCc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FKURUUXTSFWIOQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-9(4-7-2-1-3-17-7)12-5-10-13-8(6-18-10)11(15)16/h6-7H,1-5H2,(H,12,14)(H,15,16)/t7-/m0/s1.
What are the key properties of 2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[(2S)-oxolan-2-yl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 129372483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).