4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid

C5H5ClN2O2S — CID 89266534

IUPAC4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid
SMILESCc1nsc(C(=O)O)c1NCl
InChIInChI=1S/C5H5ClN2O2S/c1-2-3(7-6)4(5(9)10)11-8-2/h7H,1H3,(H,9,10)
InChIKeyYNQHPYIERZILMA-UHFFFAOYSA-N
MW192.63 g/mol
LogP1.72
Rot. Bonds2

About 4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid

4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid (PubChem CID 89266534) has the molecular formula C5H5ClN2O2S and a molecular weight of 192.63 g/mol. Its IUPAC name is 4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid
PubChem CID89266534
Molecular FormulaC5H5ClN2O2S
Molecular Weight192.63 g/mol
Exact Mass191.98
IUPAC Name4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid
SMILESCc1nsc(C(=O)O)c1NCl
InChIInChI=1S/C5H5ClN2O2S/c1-2-3(7-6)4(5(9)10)11-8-2/h7H,1H3,(H,9,10)
InChIKeyYNQHPYIERZILMA-UHFFFAOYSA-N
XLogP1.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.63
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid (CID 89266534) is 4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid is Cc1nsc(C(=O)O)c1NCl.
What is the InChIKey of 4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid?
The InChIKey is YNQHPYIERZILMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2S/c1-2-3(7-6)4(5(9)10)11-8-2/h7H,1H3,(H,9,10).
What are the key properties of 4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid?
4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid has a molecular weight of 192.63 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloroamino)-3-methyl-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 89266534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).