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

C15H9ClF3N3O2S — CID 162537947

IUPACN-(3-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2)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)20-8-4-2-3-7(16)5-8/h2-5H,1H3,(H,20,24)(H,21,22,23)
InChIKeyJOKKDBILTXTUFA-UHFFFAOYSA-N
MW387.77 g/mol
LogP4.22
Rot. Bonds2

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

N-(3-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 162537947) has the molecular formula C15H9ClF3N3O2S and a molecular weight of 387.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID162537947
Molecular FormulaC15H9ClF3N3O2S
Molecular Weight387.77 g/mol
Exact Mass387.01
IUPAC NameN-(3-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)Nc2cccc(Cl)c2)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)20-8-4-2-3-7(16)5-8/h2-5H,1H3,(H,20,24)(H,21,22,23)
InChIKeyJOKKDBILTXTUFA-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-(4-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 162537946
2-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-N-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28888388
N-(3-chlorophenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23828047
N-(3-chlorophenyl)-3-ethyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 15992768
2-benzyl-5-methyl-4-oxo-N-phenyl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 27166756
3-ethyl-5-methyl-4-oxo-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 92627517
N-(3-chlorophenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 7250379
5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28889045
N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468182
2-[(2,4-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28868638
N-[(2-chlorophenyl)methyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 39084644
N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 46974338

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 162537947) is N-(3-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(C(F)(F)F)[nH]c(=O)c12.
What is the InChIKey of N-(3-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is JOKKDBILTXTUFA-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)20-8-4-2-3-7(16)5-8/h2-5H,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-(3-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
N-(3-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-(3-chlorophenyl)-5-methyl-4-oxo-2-(trifluoromethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 162537947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).