2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid

C6H5ClN2O3S — CID 107124398

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid
SMILESO=CNC(C(=O)O)c1ncc(Cl)s1
InChIInChI=1S/C6H5ClN2O3S/c7-3-1-8-5(13-3)4(6(11)12)9-2-10/h1-2,4H,(H,9,10)(H,11,12)
InChIKeyCYQXNVCWONNQQR-UHFFFAOYSA-N
MW220.64 g/mol
LogP0.67
Rot. Bonds4

About 2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid

2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid (PubChem CID 107124398) has the molecular formula C6H5ClN2O3S and a molecular weight of 220.64 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid
PubChem CID107124398
Molecular FormulaC6H5ClN2O3S
Molecular Weight220.64 g/mol
Exact Mass219.97
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid
SMILESO=CNC(C(=O)O)c1ncc(Cl)s1
InChIInChI=1S/C6H5ClN2O3S/c7-3-1-8-5(13-3)4(6(11)12)9-2-10/h1-2,4H,(H,9,10)(H,11,12)
InChIKeyCYQXNVCWONNQQR-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid
CID 107124347
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-(prop-2-enylamino)acetate
CID 107124379
(3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
CID 107124440
3-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoro-3-hydroxypropanoic acid
CID 107125467
methyl 2-(4-bromoanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 107124335
(3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide
CID 107124450
2-(2-chloro-3-hydroxyphenyl)-2-formamidoacetic acid
CID 127019839
2-formamido-2-thiophen-2-ylacetic acid
CID 21492681
1-(5-chloro-1,3-thiazol-2-yl)-2,2-difluoroethanol
CID 107124825
2-formamido-2-(4-hydroxyphenyl)acetic acid
CID 10171318
methyl 2-(5-chloro-1,3-thiazol-2-yl)-2-piperazin-1-ylacetate
CID 107124353
2-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
CID 107124426

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid (CID 107124398) is 2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid is O=CNC(C(=O)O)c1ncc(Cl)s1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid?
The InChIKey is CYQXNVCWONNQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3S/c7-3-1-8-5(13-3)4(6(11)12)9-2-10/h1-2,4H,(H,9,10)(H,11,12).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid?
2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid has a molecular weight of 220.64 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-2-formamidoacetic acid is sourced from PubChem (CID 107124398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).