2-(4-chloro-1,2-thiazol-5-yl)acetic acid

C5H4ClNO2S — CID 84656253

IUPAC2-(4-chloro-1,2-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sncc1Cl
InChIInChI=1S/C5H4ClNO2S/c6-3-2-7-10-4(3)1-5(8)9/h2H,1H2,(H,8,9)
InChIKeyOVYCIRBSIGTSLL-UHFFFAOYSA-N
MW177.61 g/mol
LogP1.42
Rot. Bonds2

About 2-(4-chloro-1,2-thiazol-5-yl)acetic acid

2-(4-chloro-1,2-thiazol-5-yl)acetic acid (PubChem CID 84656253) has the molecular formula C5H4ClNO2S and a molecular weight of 177.61 g/mol. Its IUPAC name is 2-(4-chloro-1,2-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-1,2-thiazol-5-yl)acetic acid
PubChem CID84656253
Molecular FormulaC5H4ClNO2S
Molecular Weight177.61 g/mol
Exact Mass176.97
IUPAC Name2-(4-chloro-1,2-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1sncc1Cl
InChIInChI=1S/C5H4ClNO2S/c6-3-2-7-10-4(3)1-5(8)9/h2H,1H2,(H,8,9)
InChIKeyOVYCIRBSIGTSLL-UHFFFAOYSA-N
XLogP1.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.61
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,2-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(4-chloro-1,2-thiazol-5-yl)acetic acid (CID 84656253) is 2-(4-chloro-1,2-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-1,2-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-1,2-thiazol-5-yl)acetic acid is O=C(O)Cc1sncc1Cl.
What is the InChIKey of 2-(4-chloro-1,2-thiazol-5-yl)acetic acid?
The InChIKey is OVYCIRBSIGTSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO2S/c6-3-2-7-10-4(3)1-5(8)9/h2H,1H2,(H,8,9).
What are the key properties of 2-(4-chloro-1,2-thiazol-5-yl)acetic acid?
2-(4-chloro-1,2-thiazol-5-yl)acetic acid has a molecular weight of 177.61 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,2-thiazol-5-yl)acetic acid is sourced from PubChem (CID 84656253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).