2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

C15H12F3N5OS — CID 58964591

IUPAC2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCSc1ncc(C#N)c(NCC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H12F3N5OS/c1-25-14-21-7-9(6-19)13(23-14)20-8-12(24)22-11-4-2-3-10(5-11)15(16,17)18/h2-5,7H,8H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyINCGNBRMQCFQGI-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.14
Rot. Bonds5

About 2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 58964591) has the molecular formula C15H12F3N5OS and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID58964591
Molecular FormulaC15H12F3N5OS
Molecular Weight367.36 g/mol
Exact Mass367.07
IUPAC Name2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCSc1ncc(C#N)c(NCC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H12F3N5OS/c1-25-14-21-7-9(6-19)13(23-14)20-8-12(24)22-11-4-2-3-10(5-11)15(16,17)18/h2-5,7H,8H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyINCGNBRMQCFQGI-UHFFFAOYSA-N
XLogP3.14
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417253
2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2982579
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 109009780
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
N-(3,4-difluorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409925
2-[(2-amino-5-methanimidoyl-6-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide;ethane
CID 143041871
N,N-diethyl-4-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]benzamide
CID 54834141
2-[2-amino-5-cyano-6-(methylamino)pyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide;2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 158276206
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54822451

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 58964591) is 2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is CSc1ncc(C#N)c(NCC(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is INCGNBRMQCFQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5OS/c1-25-14-21-7-9(6-19)13(23-14)20-8-12(24)22-11-4-2-3-10(5-11)15(16,17)18/h2-5,7H,8H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of 2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 367.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-methylsulfanylpyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 58964591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).