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

C8H10N2O3S — CID 103199815

IUPAC5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(C2CCCO2)nc1C(=O)O
InChIInChI=1S/C8H10N2O3S/c9-6-5(8(11)12)10-7(14-6)4-2-1-3-13-4/h4H,1-3,9H2,(H,11,12)
InChIKeyAQCLDVNPLUBCBV-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.27
Rot. Bonds2

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

5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 103199815) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID103199815
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESNc1sc(C2CCCO2)nc1C(=O)O
InChIInChI=1S/C8H10N2O3S/c9-6-5(8(11)12)10-7(14-6)4-2-1-3-13-4/h4H,1-3,9H2,(H,11,12)
InChIKeyAQCLDVNPLUBCBV-UHFFFAOYSA-N
XLogP1.27
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-cyclopentyl-1,3-thiazole-4-carboxylic acid
CID 83703476
5-amino-2-(5-methyloxolan-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103199913
2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 65331290
methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
CID 115327935
1-[4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]ethanone
CID 82439059
2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 79785896
2-(4-aminophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110451756
(2S)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 35570023
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 45154366
4-(oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 115021656
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 115036116

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid (CID 103199815) is 5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid is Nc1sc(C2CCCO2)nc1C(=O)O.
What is the InChIKey of 5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is AQCLDVNPLUBCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c9-6-5(8(11)12)10-7(14-6)4-2-1-3-13-4/h4H,1-3,9H2,(H,11,12).
What are the key properties of 5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid?
5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 214.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 103199815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).