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

C15H11ClFN3O2S — CID 50847101

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCc1sc2nc[nH]c(=O)c2c1C(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFN3O2S/c1-7-11(12-14(22)19-6-20-15(12)23-7)13(21)18-5-8-2-3-10(17)9(16)4-8/h2-4,6H,5H2,1H3,(H,18,21)(H,19,20,22)
InChIKeySKPOSOMLZGUYPK-UHFFFAOYSA-N
MW351.79 g/mol
LogP3.02
Rot. Bonds3

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

N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 50847101) has the molecular formula C15H11ClFN3O2S and a molecular weight of 351.79 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID50847101
Molecular FormulaC15H11ClFN3O2S
Molecular Weight351.79 g/mol
Exact Mass351.02
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide
SMILESCc1sc2nc[nH]c(=O)c2c1C(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H11ClFN3O2S/c1-7-11(12-14(22)19-6-20-15(12)23-7)13(21)18-5-8-2-3-10(17)9(16)4-8/h2-4,6H,5H2,1H3,(H,18,21)(H,19,20,22)
InChIKeySKPOSOMLZGUYPK-UHFFFAOYSA-N
XLogP3.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 62734214
5,6-dichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-3-carboxamide
CID 62537774
N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073119
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79987282
6-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-5-methylpyrimidine-4-carboxylic acid
CID 25003192
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921250
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62531418
5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 46978339
2-amino-5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 114923313
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794473
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide (CID 50847101) is N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide is Cc1sc2nc[nH]c(=O)c2c1C(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is SKPOSOMLZGUYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2S/c1-7-11(12-14(22)19-6-20-15(12)23-7)13(21)18-5-8-2-3-10(17)9(16)4-8/h2-4,6H,5H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 351.79 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 50847101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).