potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate

C7H8KNO3S — CID 170915093

IUPACpotassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate
SMILESCC(C)(O)c1cnc(C(=O)[O-])s1.[K+]
InChIInChI=1S/C7H9NO3S.K/c1-7(2,11)4-3-8-5(12-4)6(9)10;/h3,11H,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyBPVIQVHYUCJNOT-UHFFFAOYSA-M
MW225.31 g/mol
LogP-3.26
Rot. Bonds2

About potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate

potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate (PubChem CID 170915093) has the molecular formula C7H8KNO3S and a molecular weight of 225.31 g/mol. Its IUPAC name is potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Namepotassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate
PubChem CID170915093
Molecular FormulaC7H8KNO3S
Molecular Weight225.31 g/mol
Exact Mass224.99
IUPAC Namepotassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate
SMILESCC(C)(O)c1cnc(C(=O)[O-])s1.[K+]
InChIInChI=1S/C7H9NO3S.K/c1-7(2,11)4-3-8-5(12-4)6(9)10;/h3,11H,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyBPVIQVHYUCJNOT-UHFFFAOYSA-M
XLogP-3.26
TPSA73.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-3.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Lithium(1+) ion 5-(propan-2-yl)-1,3-thiazole-2-carboxylate
CID 73554514
Lithium(1+) ion 5-ethyl-1,3-thiazole-2-carboxylate
CID 75480690
5-(2,2,2-Trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid
CID 67315405
Dilithium;hydride;5-(2,2,2-trifluoro-1-hydroxyethyl)-1,3-thiazole-2-carboxylic acid
CID 173062807
5-(2-Fluoropropan-2-yl)-1,3-thiazole-2-carboxylic acid
CID 84771009
5-(1,1-Difluoroethyl)-1,3-thiazole-2-carboxylic acid
CID 84772561
Methyl 5-(2-fluoropropan-2-yl)-1,3-thiazole-2-carboxylate
CID 170915900
5-Propyl-1,3-thiazole-2-carboxylic acid
CID 12795794
5-(Tert-butyl)thiazole-2-carboxylic acid
CID 19786348
5-Isopropylthiazole-2-carboxylic acid
CID 20073044
5-Ethyl-1,3-thiazole-2-carboxylic acid
CID 20775014
2-(2-Methyl-1,3-thiazol-5-yl)propan-2-ol
CID 22083608

Frequently Asked Questions

What is the IUPAC name of potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate?
The IUPAC name of potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate (CID 170915093) is potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate is CC(C)(O)c1cnc(C(=O)[O-])s1.[K+].
What is the InChIKey of potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate?
The InChIKey is BPVIQVHYUCJNOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9NO3S.K/c1-7(2,11)4-3-8-5(12-4)6(9)10;/h3,11H,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate?
potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate has a molecular weight of 225.31 g/mol, XLogP of -3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-(2-hydroxypropan-2-yl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 170915093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).