2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid

C6H5ClN2O3S — CID 22124383

IUPAC2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid
SMILESO=CNc1nc(CC(=O)O)c(Cl)s1
InChIInChI=1S/C6H5ClN2O3S/c7-5-3(1-4(11)12)9-6(13-5)8-2-10/h2H,1H2,(H,11,12)(H,8,9,10)
InChIKeyJQLGCZVPBSGYMP-UHFFFAOYSA-N
MW220.64 g/mol
LogP0.99
Rot. Bonds4

About 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid

2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid (PubChem CID 22124383) has the molecular formula C6H5ClN2O3S and a molecular weight of 220.64 g/mol. Its IUPAC name is 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid
PubChem CID22124383
Molecular FormulaC6H5ClN2O3S
Molecular Weight220.64 g/mol
Exact Mass219.97
IUPAC Name2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid
SMILESO=CNc1nc(CC(=O)O)c(Cl)s1
InChIInChI=1S/C6H5ClN2O3S/c7-5-3(1-4(11)12)9-6(13-5)8-2-10/h2H,1H2,(H,11,12)(H,8,9,10)
InChIKeyJQLGCZVPBSGYMP-UHFFFAOYSA-N
XLogP0.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.64
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid (CID 22124383) is 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid is O=CNc1nc(CC(=O)O)c(Cl)s1.
What is the InChIKey of 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid?
The InChIKey is JQLGCZVPBSGYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3S/c7-5-3(1-4(11)12)9-6(13-5)8-2-10/h2H,1H2,(H,11,12)(H,8,9,10).
What are the key properties of 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid?
2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid has a molecular weight of 220.64 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-formamido-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 22124383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).