N-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide

C15H13N3O2S — CID 155545870

IUPACN-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide
SMILESCc1sc2nc(NC(=O)c3ccccc3)[nH]c(=O)c2c1C
InChIInChI=1S/C15H13N3O2S/c1-8-9(2)21-14-11(8)13(20)17-15(18-14)16-12(19)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,16,17,18,19,20)
InChIKeyUQCKRXMDAWCFKP-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.85
Rot. Bonds2

About N-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide

N-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide (PubChem CID 155545870) has the molecular formula C15H13N3O2S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide
PubChem CID155545870
Molecular FormulaC15H13N3O2S
Molecular Weight299.35 g/mol
Exact Mass299.07
IUPAC NameN-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide
SMILESCc1sc2nc(NC(=O)c3ccccc3)[nH]c(=O)c2c1C
InChIInChI=1S/C15H13N3O2S/c1-8-9(2)21-14-11(8)13(20)17-15(18-14)16-12(19)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,16,17,18,19,20)
InChIKeyUQCKRXMDAWCFKP-UHFFFAOYSA-N
XLogP2.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 215639
5-(4-methylphenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 731455
5-(4-fluorophenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 727600
5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 709311
5,6,7,8-Tetrahydro-2-phenyl(1)benzothieno(2,3-d)pyrimidin-4(1H)-one
CID 209396
5-Methyl-6-phenylthieno[2,3-d]pyrimidin-4(1H)-one
CID 673139
2-(chloromethyl)-6-methyl-5-phenyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 2393069
2-amino-5-(4-chlorophenyl)sulfanyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 44221143
2-amino-6-ethyl-5-(4-fluorophenyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 44221146
2-amino-5-(3-chlorophenyl)sulfanyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 44221147
2-amino-5-(2-chlorophenyl)sulfanyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 44221340
2-amino-6-ethyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 44221343

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide?
The IUPAC name of N-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide (CID 155545870) is N-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide.
What is the SMILES notation for N-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide?
The canonical SMILES for N-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide is Cc1sc2nc(NC(=O)c3ccccc3)[nH]c(=O)c2c1C.
What is the InChIKey of N-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide?
The InChIKey is UQCKRXMDAWCFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-8-9(2)21-14-11(8)13(20)17-15(18-14)16-12(19)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide?
N-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide has a molecular weight of 299.35 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzamide is sourced from PubChem (CID 155545870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).