potassium 5-chloro-1,3-thiazole-2-carboxylate

C4HClKNO2S — CID 170907506

IUPACpotassium 5-chloro-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1ncc(Cl)s1.[K+]
InChIInChI=1S/C4H2ClNO2S.K/c5-2-1-6-3(9-2)4(7)8;/h1H,(H,7,8);/q;+1/p-1
InChIKeyVVFNLLCRCDAWKF-UHFFFAOYSA-M
MW201.67 g/mol
LogP-2.84
Rot. Bonds1

About potassium 5-chloro-1,3-thiazole-2-carboxylate

potassium 5-chloro-1,3-thiazole-2-carboxylate (PubChem CID 170907506) has the molecular formula C4HClKNO2S and a molecular weight of 201.67 g/mol. Its IUPAC name is potassium 5-chloro-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namepotassium 5-chloro-1,3-thiazole-2-carboxylate
PubChem CID170907506
Molecular FormulaC4HClKNO2S
Molecular Weight201.67 g/mol
Exact Mass200.91
IUPAC Namepotassium 5-chloro-1,3-thiazole-2-carboxylate
SMILESO=C([O-])c1ncc(Cl)s1.[K+]
InChIInChI=1S/C4H2ClNO2S.K/c5-2-1-6-3(9-2)4(7)8;/h1H,(H,7,8);/q;+1/p-1
InChIKeyVVFNLLCRCDAWKF-UHFFFAOYSA-M
XLogP-2.84
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.67
LogP ≤ 5-2.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

potassium 5-chloro-1,3,4-thiadiazole-2-carboxylate
CID 133062797
5-chloro-N'-hydroxy-1,3-thiazole-2-carboximidamide
CID 136917790
2-bromo-5-chloro-1,3-thiazole
CID 18519960
1-(5-chloro-1,3-thiazol-2-yl)-3-sulfanylpropan-2-one
CID 58139217
5-chloro-2-iodo-1,3-thiazole
CID 154533494
lithium 5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-carboxylate
CID 164526442
lithium [1,3]thiazolo[4,5-d]pyridazine-2-carboxylate
CID 172747633
(3R)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
CID 107124440
(3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide
CID 107124450
2-amino-3-(5-chloro-1,3-thiazol-2-yl)propanoic acid
CID 107124426
N-(5-chloro-1,3-thiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 130669871
6-chloropyridine-3-carboxylate
CID 6933309

Frequently Asked Questions

What is the IUPAC name of potassium 5-chloro-1,3-thiazole-2-carboxylate?
The IUPAC name of potassium 5-chloro-1,3-thiazole-2-carboxylate (CID 170907506) is potassium 5-chloro-1,3-thiazole-2-carboxylate.
What is the SMILES notation for potassium 5-chloro-1,3-thiazole-2-carboxylate?
The canonical SMILES for potassium 5-chloro-1,3-thiazole-2-carboxylate is O=C([O-])c1ncc(Cl)s1.[K+].
What is the InChIKey of potassium 5-chloro-1,3-thiazole-2-carboxylate?
The InChIKey is VVFNLLCRCDAWKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H2ClNO2S.K/c5-2-1-6-3(9-2)4(7)8;/h1H,(H,7,8);/q;+1/p-1.
What are the key properties of potassium 5-chloro-1,3-thiazole-2-carboxylate?
potassium 5-chloro-1,3-thiazole-2-carboxylate has a molecular weight of 201.67 g/mol, XLogP of -2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-chloro-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 170907506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).