N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C13H12F3N3O2S — CID 86836187

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ncc(CNC(=O)Cn2cccc(C(F)(F)F)c2=O)s1
InChIInChI=1S/C13H12F3N3O2S/c1-8-17-5-9(22-8)6-18-11(20)7-19-4-2-3-10(12(19)21)13(14,15)16/h2-5H,6-7H2,1H3,(H,18,20)
InChIKeyFIZRTIGBMXCRKF-UHFFFAOYSA-N
MW331.32 g/mol
LogP1.95
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 86836187) has the molecular formula C13H12F3N3O2S and a molecular weight of 331.32 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID86836187
Molecular FormulaC13H12F3N3O2S
Molecular Weight331.32 g/mol
Exact Mass331.06
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCc1ncc(CNC(=O)Cn2cccc(C(F)(F)F)c2=O)s1
InChIInChI=1S/C13H12F3N3O2S/c1-8-17-5-9(22-8)6-18-11(20)7-19-4-2-3-10(12(19)21)13(14,15)16/h2-5H,6-7H2,1H3,(H,18,20)
InChIKeyFIZRTIGBMXCRKF-UHFFFAOYSA-N
XLogP1.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 86836187) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is Cc1ncc(CNC(=O)Cn2cccc(C(F)(F)F)c2=O)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is FIZRTIGBMXCRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2S/c1-8-17-5-9(22-8)6-18-11(20)7-19-4-2-3-10(12(19)21)13(14,15)16/h2-5H,6-7H2,1H3,(H,18,20).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 331.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 86836187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).