N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide

C15H9ClN4O2S — CID 140601618

IUPACN-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc(NC(=O)c2csc3cncnc23)cc(C#N)c1Cl
InChIInChI=1S/C15H9ClN4O2S/c1-22-11-3-9(2-8(4-17)13(11)16)20-15(21)10-6-23-12-5-18-7-19-14(10)12/h2-3,5-7H,1H3,(H,20,21)
InChIKeyMIXVKNGWLAACFI-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.48
Rot. Bonds3

About N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide

N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 140601618) has the molecular formula C15H9ClN4O2S and a molecular weight of 344.78 g/mol. Its IUPAC name is N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID140601618
Molecular FormulaC15H9ClN4O2S
Molecular Weight344.78 g/mol
Exact Mass344.01
IUPAC NameN-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1cc(NC(=O)c2csc3cncnc23)cc(C#N)c1Cl
InChIInChI=1S/C15H9ClN4O2S/c1-22-11-3-9(2-8(4-17)13(11)16)20-15(21)10-6-23-12-5-18-7-19-14(10)12/h2-3,5-7H,1H3,(H,20,21)
InChIKeyMIXVKNGWLAACFI-UHFFFAOYSA-N
XLogP3.48
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-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-(2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 58056378
N-[3-(aminomethoxy)-2,4,6-trichloro-5-methoxyphenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 140601630
N-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 140601623
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 127048451
2-amino-N-(3,4-dimethoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 130350451
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 130182536
N-(4-bromo-3-methoxy-5-methylphenyl)-4-methylsulfanylthieno[3,2-d]pyrimidine-7-carboxamide
CID 71076411
N-(4-chloro-3-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 112805668
thieno[3,2-d]pyrimidin-7-yl N-(5-chloro-2-propan-2-yloxyphenyl)carbamate
CID 130332193
2-(2-aminoethylamino)-N-(5-chloro-2-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
CID 66664716
N-(2,6-dichloro-3-methoxy-5-methylphenyl)-4-[4-(dimethylamino)anilino]thieno[3,2-d]pyrimidine-7-carboxamide
CID 89252842
N-(3,5-dimethoxyphenyl)-4-[(S)-methylsulfinyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 124567158

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 140601618) is N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide is COc1cc(NC(=O)c2csc3cncnc23)cc(C#N)c1Cl.
What is the InChIKey of N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is MIXVKNGWLAACFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O2S/c1-22-11-3-9(2-8(4-17)13(11)16)20-15(21)10-6-23-12-5-18-7-19-14(10)12/h2-3,5-7H,1H3,(H,20,21).
What are the key properties of N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 344.78 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyano-5-methoxyphenyl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 140601618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).