N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

C16H14FN3O2S — CID 26692384

IUPACN-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)c2sc3ncn(C)c(=O)c3c2C)c(F)c1
InChIInChI=1S/C16H14FN3O2S/c1-8-4-5-11(10(17)6-8)19-14(21)13-9(2)12-15(23-13)18-7-20(3)16(12)22/h4-7H,1-3H3,(H,19,21)
InChIKeyAJPPVALGYXQZCY-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.00
Rot. Bonds2

About N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26692384) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID26692384
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)c2sc3ncn(C)c(=O)c3c2C)c(F)c1
InChIInChI=1S/C16H14FN3O2S/c1-8-4-5-11(10(17)6-8)19-14(21)13-9(2)12-15(23-13)18-7-20(3)16(12)22/h4-7H,1-3H3,(H,19,21)
InChIKeyAJPPVALGYXQZCY-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[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

Related Compounds

3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 18106835
N-[2-(dimethylcarbamoyl)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55613008
N-(3-chlorophenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 23828047
3,5-dimethyl-4-oxo-N-(2-phenylpyrimidin-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 134009535
3,5-dimethyl-4-oxo-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 34758951
S-[2-[(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56576564
3,5-dimethyl-4-oxo-N-(2-thiophen-2-ylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 51287124
3,5-dimethyl-N-[3-(methylcarbamoyl)phenyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 18146247
3,5-dimethyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 30865272
3,5-dimethyl-4-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 38197107
N-(2-bromo-4-methylphenyl)-3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 22330598
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 55778860

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide (CID 26692384) is N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is Cc1ccc(NC(=O)c2sc3ncn(C)c(=O)c3c2C)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is AJPPVALGYXQZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-8-4-5-11(10(17)6-8)19-14(21)13-9(2)12-15(23-13)18-7-20(3)16(12)22/h4-7H,1-3H3,(H,19,21).
What are the key properties of N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26692384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).