3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

C18H15F3N4O3S — CID 34758951

IUPAC3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)sc2ncn(C)c(=O)c12
InChIInChI=1S/C18H15F3N4O3S/c1-9-12-16(23-8-25(2)17(12)28)29-13(9)15(27)24-11-6-4-3-5-10(11)14(26)22-7-18(19,20)21/h3-6,8H,7H2,1-2H3,(H,22,26)(H,24,27)
InChIKeyZXVFJOYHKGLKFQ-UHFFFAOYSA-N
MW424.40 g/mol
LogP2.85
Rot. Bonds4

About 3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 34758951) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID34758951
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC Name3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)sc2ncn(C)c(=O)c12
InChIInChI=1S/C18H15F3N4O3S/c1-9-12-16(23-8-25(2)17(12)28)29-13(9)15(27)24-11-6-4-3-5-10(11)14(26)22-7-18(19,20)21/h3-6,8H,7H2,1-2H3,(H,22,26)(H,24,27)
InChIKeyZXVFJOYHKGLKFQ-UHFFFAOYSA-N
XLogP2.85
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 34758951) is 3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)sc2ncn(C)c(=O)c12.
What is the InChIKey of 3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZXVFJOYHKGLKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c1-9-12-16(23-8-25(2)17(12)28)29-13(9)15(27)24-11-6-4-3-5-10(11)14(26)22-7-18(19,20)21/h3-6,8H,7H2,1-2H3,(H,22,26)(H,24,27).
What are the key properties of 3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?
3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 424.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 34758951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).