N-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide

C10H7F3N4OS — CID 118961402

IUPACN-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1csc(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C10H7F3N4OS/c1-5(18)16-7-4-19-8(17-7)6-2-14-9(15-3-6)10(11,12)13/h2-4H,1H3,(H,16,18)
InChIKeySVOKOGLFAIJXLO-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.58
Rot. Bonds2

About N-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide

N-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide (PubChem CID 118961402) has the molecular formula C10H7F3N4OS and a molecular weight of 288.25 g/mol. Its IUPAC name is N-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide
PubChem CID118961402
Molecular FormulaC10H7F3N4OS
Molecular Weight288.25 g/mol
Exact Mass288.03
IUPAC NameN-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1csc(-c2cnc(C(F)(F)F)nc2)n1
InChIInChI=1S/C10H7F3N4OS/c1-5(18)16-7-4-19-8(17-7)6-2-14-9(15-3-6)10(11,12)13/h2-4H,1H3,(H,16,18)
InChIKeySVOKOGLFAIJXLO-UHFFFAOYSA-N
XLogP2.58
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide (CID 118961402) is N-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide is CC(=O)Nc1csc(-c2cnc(C(F)(F)F)nc2)n1.
What is the InChIKey of N-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is SVOKOGLFAIJXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4OS/c1-5(18)16-7-4-19-8(17-7)6-2-14-9(15-3-6)10(11,12)13/h2-4H,1H3,(H,16,18).
What are the key properties of N-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide?
N-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 288.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 118961402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).