N-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C15H9ClF3N3O2S — CID 162537946

IUPACN-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc(C(F)(F)F)[nH]c(=O)c12
InChIInChI=1S/C15H9ClF3N3O2S/c1-6-9-11(23)21-14(15(17,18)19)22-13(9)25-10(6)12(24)20-8-4-2-7(16)3-5-8/h2-5H,1H3,(H,20,24)(H,21,22,23)
InChIKeyBQVBSPCSFLJGEM-UHFFFAOYSA-N
MW387.77 g/mol
LogP4.22
Rot. Bonds2

About N-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide

N-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 162537946) has the molecular formula C15H9ClF3N3O2S and a molecular weight of 387.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID162537946
Molecular FormulaC15H9ClF3N3O2S
Molecular Weight387.77 g/mol
Exact Mass387.01
IUPAC NameN-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc(C(F)(F)F)[nH]c(=O)c12
InChIInChI=1S/C15H9ClF3N3O2S/c1-6-9-11(23)21-14(15(17,18)19)22-13(9)25-10(6)12(24)20-8-4-2-7(16)3-5-8/h2-5H,1H3,(H,20,24)(H,21,22,23)
InChIKeyBQVBSPCSFLJGEM-UHFFFAOYSA-N
XLogP4.22
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.77
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 162537947
2-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-N-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28888388
2-benzyl-5-methyl-4-oxo-N-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 27166756
5-methyl-N-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide;hydrochloride
CID 126476924
3-ethyl-5-methyl-4-oxo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 92627517
5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28889045
2-[(2,4-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28868638
3-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 36995856
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
N,5-dimethyl-4-oxo-2-[3-(trifluoromethyl)phenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 17464782
N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084644
2-(chloromethyl)-5-methyl-N-(2-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 82064986

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 162537946) is N-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc(C(F)(F)F)[nH]c(=O)c12.
What is the InChIKey of N-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is BQVBSPCSFLJGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O2S/c1-6-9-11(23)21-14(15(17,18)19)22-13(9)25-10(6)12(24)20-8-4-2-7(16)3-5-8/h2-5H,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
N-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 387.77 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 162537946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).