2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid

C10H13NO3S — CID 65331290

IUPAC2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(C2CCCO2)sc1CC(=O)O
InChIInChI=1S/C10H13NO3S/c1-6-8(5-9(12)13)15-10(11-6)7-3-2-4-14-7/h7H,2-5H2,1H3,(H,12,13)
InChIKeyFKNNDXDPNUNAAD-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.93
Rot. Bonds3

About 2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid

2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 65331290) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
PubChem CID65331290
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
SMILESCc1nc(C2CCCO2)sc1CC(=O)O
InChIInChI=1S/C10H13NO3S/c1-6-8(5-9(12)13)15-10(11-6)7-3-2-4-14-7/h7H,2-5H2,1H3,(H,12,13)
InChIKeyFKNNDXDPNUNAAD-UHFFFAOYSA-N
XLogP1.93
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methanamine
CID 65328159
2-[2-(oxolan-2-yl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 79785896
2-[5-methyl-4-(oxolan-2-yl)-1,3-thiazol-2-yl]acetic acid
CID 115036116
methyl 4-methyl-2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
CID 115327935
2-[4-methyl-2-(oxolan-2-yl)-1,3-oxazol-5-yl]acetic acid
CID 115027230
5-amino-2-(oxolan-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103199815
2-[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 79969420
1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one
CID 116886443
3-[4,6-dimethyl-2-(oxolan-2-yl)pyrimidin-5-yl]propanoic acid
CID 65328486
5-(bromomethyl)-4-tert-butyl-2-(oxolan-2-yl)-1,3-thiazole
CID 82439049
[2-(oxolan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434676
2-[2-[2-(cyclopentylamino)-2-oxoethyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82155063

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid (CID 65331290) is 2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid is Cc1nc(C2CCCO2)sc1CC(=O)O.
What is the InChIKey of 2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is FKNNDXDPNUNAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-6-8(5-9(12)13)15-10(11-6)7-3-2-4-14-7/h7H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid?
2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 227.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 65331290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).