1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one

C15H14F3N3O2S2 — CID 134201982

IUPAC1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCS(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H14F3N3O2S2/c16-15(17,18)12-9-10(11-3-2-7-24-11)19-14(20-12)25(23)8-6-21-5-1-4-13(21)22/h2-3,7,9H,1,4-6,8H2
InChIKeyZFBSBXNURRUJSY-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.95
Rot. Bonds5

About 1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one

1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one (PubChem CID 134201982) has the molecular formula C15H14F3N3O2S2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one
PubChem CID134201982
Molecular FormulaC15H14F3N3O2S2
Molecular Weight389.42 g/mol
Exact Mass389.05
IUPAC Name1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCS(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H14F3N3O2S2/c16-15(17,18)12-9-10(11-3-2-7-24-11)19-14(20-12)25(23)8-6-21-5-1-4-13(21)22/h2-3,7,9H,1,4-6,8H2
InChIKeyZFBSBXNURRUJSY-UHFFFAOYSA-N
XLogP2.95
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrimidine, 2-(ethylsulfonyl)-4-(2-thienyl)-6-(trifluoromethyl)-
CID 17024838
2-Methylsulfonyl-4-thiophen-2-yl-6-(trifluoromethyl)pyrimidine
CID 3245258
Ethyl 3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoate
CID 134201900
N-Isobutyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 1152385
N-sec-Butyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 3145753
2-((4-(Thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl)thio)acetic acid
CID 777466
3-(4-Thiophen-2-yl-6-trifluoromethyl-pyrimidine-2-sulfonyl)-propionic acid
CID 1133592
Methyl 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylbutanoate
CID 134201983
3-[4-Thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylpropanoic acid
CID 134202214
N-[4-(diethylamino)phenyl]-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 1152414
N-propyl-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 3145751
N-(2-methylsulfanylphenyl)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanamide
CID 4231524

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one (CID 134201982) is 1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one is O=C1CCCN1CCS(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one?
The InChIKey is ZFBSBXNURRUJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2S2/c16-15(17,18)12-9-10(11-3-2-7-24-11)19-14(20-12)25(23)8-6-21-5-1-4-13(21)22/h2-3,7,9H,1,4-6,8H2.
What are the key properties of 1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one?
1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one has a molecular weight of 389.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfinylethyl]pyrrolidin-2-one is sourced from PubChem (CID 134201982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).