2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C12H10F3N3O2S2 — CID 146025414

IUPAC2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)NCc1cccs1
InChIInChI=1S/C12H10F3N3O2S2/c13-12(14,15)8-4-9(19)18-11(17-8)22-6-10(20)16-5-7-2-1-3-21-7/h1-4H,5-6H2,(H,16,20)(H,17,18,19)
InChIKeyDAXLGPBFKXIFTB-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.26
Rot. Bonds5

About 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 146025414) has the molecular formula C12H10F3N3O2S2 and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID146025414
Molecular FormulaC12H10F3N3O2S2
Molecular Weight349.36 g/mol
Exact Mass349.02
IUPAC Name2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)NCc1cccs1
InChIInChI=1S/C12H10F3N3O2S2/c13-12(14,15)8-4-9(19)18-11(17-8)22-6-10(20)16-5-7-2-1-3-21-7/h1-4H,5-6H2,(H,16,20)(H,17,18,19)
InChIKeyDAXLGPBFKXIFTB-UHFFFAOYSA-N
XLogP2.26
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 146025414) is 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)NCc1cccs1.
What is the InChIKey of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DAXLGPBFKXIFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S2/c13-12(14,15)8-4-9(19)18-11(17-8)22-6-10(20)16-5-7-2-1-3-21-7/h1-4H,5-6H2,(H,16,20)(H,17,18,19).
What are the key properties of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 349.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 146025414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).