potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C12H17KN2O4S — CID 178172421

IUPACpotassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCc1nc(C)c(C(NC(=O)OC(C)(C)C)C(=O)[O-])s1.[K+]
InChIInChI=1S/C12H18N2O4S.K/c1-6-9(19-7(2)13-6)8(10(15)16)14-11(17)18-12(3,4)5;/h8H,1-5H3,(H,14,17)(H,15,16);/q;+1/p-1
InChIKeyWWNCXNRDQDEOIM-UHFFFAOYSA-M
MW324.44 g/mol
LogP-1.92
Rot. Bonds3

About potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 178172421) has the molecular formula C12H17KN2O4S and a molecular weight of 324.44 g/mol. Its IUPAC name is potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Namepotassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID178172421
Molecular FormulaC12H17KN2O4S
Molecular Weight324.44 g/mol
Exact Mass324.05
IUPAC Namepotassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCc1nc(C)c(C(NC(=O)OC(C)(C)C)C(=O)[O-])s1.[K+]
InChIInChI=1S/C12H18N2O4S.K/c1-6-9(19-7(2)13-6)8(10(15)16)14-11(17)18-12(3,4)5;/h8H,1-5H3,(H,14,17)(H,15,16);/q;+1/p-1
InChIKeyWWNCXNRDQDEOIM-UHFFFAOYSA-M
XLogP-1.92
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 5-1.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate with MolForge

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Related Compounds

tert-butyl N-[3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propyl]carbamate
CID 81337805
tert-butyl N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]propan-2-yl]carbamate
CID 107247781
tert-butyl N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutyl]carbamate
CID 107253936
tert-butyl 4-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-4-oxobutanoate
CID 106707199
lithium 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(5-methyl-2-pyridinyl)acetate
CID 153368014
(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 86308273
(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 6992568
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylacetate
CID 26601141
potassium 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 23672899
tert-butyl N-[(1R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
CID 134338437
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770728
lithium 2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 162520562

Frequently Asked Questions

What is the IUPAC name of potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 178172421) is potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is Cc1nc(C)c(C(NC(=O)OC(C)(C)C)C(=O)[O-])s1.[K+].
What is the InChIKey of potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is WWNCXNRDQDEOIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H18N2O4S.K/c1-6-9(19-7(2)13-6)8(10(15)16)14-11(17)18-12(3,4)5;/h8H,1-5H3,(H,14,17)(H,15,16);/q;+1/p-1.
What are the key properties of potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 324.44 g/mol, XLogP of -1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 178172421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).