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

C9H11NO3S — CID 104749846

IUPAC2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(C2CCOC2)cs1
InChIInChI=1S/C9H11NO3S/c11-9(12)3-8-10-7(5-14-8)6-1-2-13-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyJEBKNFSNGUUTID-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.27
Rot. Bonds3

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

2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid (PubChem CID 104749846) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
PubChem CID104749846
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid
SMILESO=C(O)Cc1nc(C2CCOC2)cs1
InChIInChI=1S/C9H11NO3S/c11-9(12)3-8-10-7(5-14-8)6-1-2-13-4-6/h5-6H,1-4H2,(H,11,12)
InChIKeyJEBKNFSNGUUTID-UHFFFAOYSA-N
XLogP1.27
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-3-yl)-2-(2-phenylethyl)-1,3-thiazole
CID 122142391
2-[6-(oxolan-3-yl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 104752238
2-(3-methylbutyl)-4-(oxolan-3-yl)-1,3-thiazole
CID 122142392
2-bromo-4-(oxolan-3-yl)-1,3-thiazole
CID 104756423
3-[4-(oxan-3-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 115036298
N-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 104693355
[4-(oxolan-3-yl)-1,3-thiazol-2-yl]hydrazine
CID 104752360
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 104749797
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815
3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]butanoic acid
CID 116965749
N-[[4-(oxan-4-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558388
2-amino-3-[4-(oxan-4-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116969214

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid?
The IUPAC name of 2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid (CID 104749846) is 2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid?
The canonical SMILES for 2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid is O=C(O)Cc1nc(C2CCOC2)cs1.
What is the InChIKey of 2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid?
The InChIKey is JEBKNFSNGUUTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c11-9(12)3-8-10-7(5-14-8)6-1-2-13-4-6/h5-6H,1-4H2,(H,11,12).
What are the key properties of 2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid?
2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid has a molecular weight of 213.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]acetic acid is sourced from PubChem (CID 104749846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).