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

C8H9NO3S — CID 115021656

IUPAC4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1C1CCCO1
InChIInChI=1S/C8H9NO3S/c10-8(11)7-6(9-4-13-7)5-2-1-3-12-5/h4-5H,1-3H2,(H,10,11)
InChIKeyAYYKTUQBKUNXRT-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.69
Rot. Bonds2

About 4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid

4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 115021656) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID115021656
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1scnc1C1CCCO1
InChIInChI=1S/C8H9NO3S/c10-8(11)7-6(9-4-13-7)5-2-1-3-12-5/h4-5H,1-3H2,(H,10,11)
InChIKeyAYYKTUQBKUNXRT-UHFFFAOYSA-N
XLogP1.69
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(thian-2-yl)-1,3-thiazole-5-carboxylic acid
CID 115037359
4-(1,1-dioxothiolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 115046072
2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 115036116
5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103199815
3-[5-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carbonyl]oxybutanoic acid
CID 175673901
4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125023729
3-[(2S)-oxolan-2-yl]benzoic acid
CID 99934746
4-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 117214301
4-(bromomethyl)-1,3-thiazole-5-carboxylic acid
CID 19885539
(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120526981
3-(oxolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 117151935
5-(oxan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 106510417

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid (CID 115021656) is 4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1scnc1C1CCCO1.
What is the InChIKey of 4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is AYYKTUQBKUNXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c10-8(11)7-6(9-4-13-7)5-2-1-3-12-5/h4-5H,1-3H2,(H,10,11).
What are the key properties of 4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid?
4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 199.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 115021656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).