2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid

C7H9NO3S — CID 83876777

IUPAC2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid
SMILESCCOc1nc(CC(=O)O)cs1
InChIInChI=1S/C7H9NO3S/c1-2-11-7-8-5(4-12-7)3-6(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyPHYQHZZTYRLRCJ-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.17
Rot. Bonds4

About 2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid

2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid (PubChem CID 83876777) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid
PubChem CID83876777
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Name2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid
SMILESCCOc1nc(CC(=O)O)cs1
InChIInChI=1S/C7H9NO3S/c1-2-11-7-8-5(4-12-7)3-6(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyPHYQHZZTYRLRCJ-UHFFFAOYSA-N
XLogP1.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]acetic acid
CID 116744488
2-[2-[2-(2-ethoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159640
2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]acetic acid
CID 116705225
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-(2-pentan-3-yl-1,3-thiazol-4-yl)acetic acid
CID 62313602
2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine
CID 83876693
2-[2-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20984834
2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 22682315
2-(2-amino-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 13017673
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 124512662
2-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]acetic acid
CID 84779358
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159789278

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid (CID 83876777) is 2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid is CCOc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid?
The InChIKey is PHYQHZZTYRLRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-2-11-7-8-5(4-12-7)3-6(9)10/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid?
2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid has a molecular weight of 187.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 83876777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).