4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid

C15H13F3N4O3S — CID 66661611

IUPAC4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCN(Cc3ccc(C(F)(F)F)nc3)C2=O)sc1C(=O)O
InChIInChI=1S/C15H13F3N4O3S/c1-8-11(12(23)24)26-13(20-8)22-5-4-21(14(22)25)7-9-2-3-10(19-6-9)15(16,17)18/h2-3,6H,4-5,7H2,1H3,(H,23,24)
InChIKeyWBNRJHCEHSNHAR-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.01
Rot. Bonds4

About 4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 66661611) has the molecular formula C15H13F3N4O3S and a molecular weight of 386.36 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID66661611
Molecular FormulaC15H13F3N4O3S
Molecular Weight386.36 g/mol
Exact Mass386.07
IUPAC Name4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCN(Cc3ccc(C(F)(F)F)nc3)C2=O)sc1C(=O)O
InChIInChI=1S/C15H13F3N4O3S/c1-8-11(12(23)24)26-13(20-8)22-5-4-21(14(22)25)7-9-2-3-10(19-6-9)15(16,17)18/h2-3,6H,4-5,7H2,1H3,(H,23,24)
InChIKeyWBNRJHCEHSNHAR-UHFFFAOYSA-N
XLogP3.01
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 66661611) is 4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid is Cc1nc(N2CCN(Cc3ccc(C(F)(F)F)nc3)C2=O)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is WBNRJHCEHSNHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3S/c1-8-11(12(23)24)26-13(20-8)22-5-4-21(14(22)25)7-9-2-3-10(19-6-9)15(16,17)18/h2-3,6H,4-5,7H2,1H3,(H,23,24).
What are the key properties of 4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 386.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66661611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).