potassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

C7H7KN2O2S — CID 23678894

IUPACpotassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
SMILESC=CCNc1nc(C(=O)[O-])cs1.[K+]
InChIInChI=1S/C7H8N2O2S.K/c1-2-3-8-7-9-5(4-12-7)6(10)11;/h2,4H,1,3H2,(H,8,9)(H,10,11);/q;+1/p-1
InChIKeyVQVDRIZHZMCKCT-UHFFFAOYSA-M
MW222.31 g/mol
LogP-2.89
Rot. Bonds4

About potassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

potassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate (PubChem CID 23678894) has the molecular formula C7H7KN2O2S and a molecular weight of 222.31 g/mol. Its IUPAC name is potassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namepotassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
PubChem CID23678894
Molecular FormulaC7H7KN2O2S
Molecular Weight222.31 g/mol
Exact Mass221.99
IUPAC Namepotassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
SMILESC=CCNc1nc(C(=O)[O-])cs1.[K+]
InChIInChI=1S/C7H8N2O2S.K/c1-2-3-8-7-9-5(4-12-7)6(10)11;/h2,4H,1,3H2,(H,8,9)(H,10,11);/q;+1/p-1
InChIKeyVQVDRIZHZMCKCT-UHFFFAOYSA-M
XLogP-2.89
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-2.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamido-1,3-thiazole-4-carboxylic acid
CID 840113
Ethyl 2-[(prop-2-en-1-yl)amino]-1,3-thiazole-4-carboxylate
CID 7171906
2-(Cyclopropylamino)-1,3-thiazole-4-carboxylic acid
CID 45494574
4-Thiazolecarboxylic acid, 2-(ethylamino)-, ethyl ester
CID 15053541
2-(Ethylamino)-1,3-thiazole-4-carboxylic acid
CID 22250124
2-(Methylamino)-1,3-thiazole-4-carboxylic acid
CID 45032346
Ethyl 2-(2-aminoethylamino)-1,3-thiazole-4-carboxylate
CID 121658917
2-(Allylamino)thiazole-4-carboxylic acid
CID 2090946
2-(Isopropylamino)-1,3-thiazole-4-carboxylic acid
CID 11953490
Sodium 2-(methylamino)-1,3-thiazole-4-carboxylate
CID 167735249
Ethyl 2-(3-allylureido)thiazole-4-carboxylate
CID 45497107
Fluoro 2-amino-1,3-thiazole-4-carboxylate
CID 141866300

Frequently Asked Questions

What is the IUPAC name of potassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of potassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate (CID 23678894) is potassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for potassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for potassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate is C=CCNc1nc(C(=O)[O-])cs1.[K+].
What is the InChIKey of potassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is VQVDRIZHZMCKCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N2O2S.K/c1-2-3-8-7-9-5(4-12-7)6(10)11;/h2,4H,1,3H2,(H,8,9)(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate?
potassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 222.31 g/mol, XLogP of -2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 23678894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).