N-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

C11H14F3N3OS — CID 18158503

IUPACN-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3OS/c1-10(2,3)17-8(18)6-19-9-15-5-4-7(16-9)11(12,13)14/h4-5H,6H2,1-3H3,(H,17,18)
InChIKeyWNSDGBXQXITDOH-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.50
Rot. Bonds3

About N-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide

N-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (PubChem CID 18158503) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
PubChem CID18158503
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC NameN-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3OS/c1-10(2,3)17-8(18)6-19-9-15-5-4-7(16-9)11(12,13)14/h4-5H,6H2,1-3H3,(H,17,18)
InChIKeyWNSDGBXQXITDOH-UHFFFAOYSA-N
XLogP2.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 863173
CID 863173
CID 6465408
CID 6465408
CID 6469527
CID 6469527
CID 78585
CID 78585
CID 2795920
CID 2795920
CID 18158504
CID 18158504
CID 172435050
CID 172435050
CID 177680643
CID 177680643
CID 177680902
CID 177680902
CID 702529
CID 702529
CID 839265
CID 839265
CID 33589657
CID 33589657

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide (CID 18158503) is N-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is CC(C)(C)NC(=O)CSc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is WNSDGBXQXITDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-10(2,3)17-8(18)6-19-9-15-5-4-7(16-9)11(12,13)14/h4-5H,6H2,1-3H3,(H,17,18).
What are the key properties of N-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide?
N-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 293.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 18158503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).