2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid

C10H12N2O4S — CID 120513587

IUPAC2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cnc(C2CCCO2)s1
InChIInChI=1S/C10H12N2O4S/c13-8(14)5-11-9(15)7-4-12-10(17-7)6-2-1-3-16-6/h4,6H,1-3,5H2,(H,11,15)(H,13,14)
InChIKeyOBAXDUHDGXXSPP-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.81
Rot. Bonds4

About 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid

2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid (PubChem CID 120513587) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
PubChem CID120513587
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cnc(C2CCCO2)s1
InChIInChI=1S/C10H12N2O4S/c13-8(14)5-11-9(15)7-4-12-10(17-7)6-2-1-3-16-6/h4,6H,1-3,5H2,(H,11,15)(H,13,14)
InChIKeyOBAXDUHDGXXSPP-UHFFFAOYSA-N
XLogP0.81
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526645
5-[[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110381
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120522164
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524586
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
CID 120515303
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid
CID 120519095
2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120530693
N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide
CID 126775241
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
CID 120519603
5-cyclohexyl-4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 122056923
4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 120533772
3-(4-chloro-3-fluorophenyl)-3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 120531633

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid (CID 120513587) is 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1cnc(C2CCCO2)s1.
What is the InChIKey of 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid?
The InChIKey is OBAXDUHDGXXSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c13-8(14)5-11-9(15)7-4-12-10(17-7)6-2-1-3-16-6/h4,6H,1-3,5H2,(H,11,15)(H,13,14).
What are the key properties of 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid?
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid has a molecular weight of 256.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 120513587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).