2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide

C15H11F6N5O2S — CID 166905151

IUPAC2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)NC(c2ccc(C(F)(F)F)nc2)c2csc(C(F)(F)F)n2)N1
InChIInChI=1S/C15H11F6N5O2S/c16-14(17,18)9-2-1-6(3-22-9)10(8-5-29-12(24-8)15(19,20)21)26-11(27)7-4-23-13(28)25-7/h1-3,5,7,10H,4H2,(H,26,27)(H2,23,25,28)
InChIKeyVOTMBQJBTQCQLV-UHFFFAOYSA-N
MW439.34 g/mol
LogP2.46
Rot. Bonds4

About 2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide

2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide (PubChem CID 166905151) has the molecular formula C15H11F6N5O2S and a molecular weight of 439.34 g/mol. Its IUPAC name is 2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide
PubChem CID166905151
Molecular FormulaC15H11F6N5O2S
Molecular Weight439.34 g/mol
Exact Mass439.05
IUPAC Name2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)NC(c2ccc(C(F)(F)F)nc2)c2csc(C(F)(F)F)n2)N1
InChIInChI=1S/C15H11F6N5O2S/c16-14(17,18)9-2-1-6(3-22-9)10(8-5-29-12(24-8)15(19,20)21)26-11(27)7-4-23-13(28)25-7/h1-3,5,7,10H,4H2,(H,26,27)(H2,23,25,28)
InChIKeyVOTMBQJBTQCQLV-UHFFFAOYSA-N
XLogP2.46
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide?
The IUPAC name of 2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide (CID 166905151) is 2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide?
The canonical SMILES for 2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide is O=C1NCC(C(=O)NC(c2ccc(C(F)(F)F)nc2)c2csc(C(F)(F)F)n2)N1.
What is the InChIKey of 2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide?
The InChIKey is VOTMBQJBTQCQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N5O2S/c16-14(17,18)9-2-1-6(3-22-9)10(8-5-29-12(24-8)15(19,20)21)26-11(27)7-4-23-13(28)25-7/h1-3,5,7,10H,4H2,(H,26,27)(H2,23,25,28).
What are the key properties of 2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide?
2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide has a molecular weight of 439.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[6-(trifluoromethyl)-3-pyridinyl]-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]imidazolidine-4-carboxamide is sourced from PubChem (CID 166905151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).