2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide

C19H13N5O2S3 — CID 52719526

IUPAC2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
SMILESO=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C19H13N5O2S3/c25-16(21-15-7-12(22-23-15)14-4-2-6-28-14)8-24-10-20-18-17(19(24)26)11(9-29-18)13-3-1-5-27-13/h1-7,9-10H,8H2,(H2,21,22,23,25)
InChIKeyYPGCWUYZJWNZIC-UHFFFAOYSA-N
MW439.55 g/mol
LogP4.28
Rot. Bonds5

About 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide

2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide (PubChem CID 52719526) has the molecular formula C19H13N5O2S3 and a molecular weight of 439.55 g/mol. Its IUPAC name is 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
PubChem CID52719526
Molecular FormulaC19H13N5O2S3
Molecular Weight439.55 g/mol
Exact Mass439.02
IUPAC Name2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide
SMILESO=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C19H13N5O2S3/c25-16(21-15-7-12(22-23-15)14-4-2-6-28-14)8-24-10-20-18-17(19(24)26)11(9-29-18)13-3-1-5-27-13/h1-7,9-10H,8H2,(H2,21,22,23,25)
InChIKeyYPGCWUYZJWNZIC-UHFFFAOYSA-N
XLogP4.28
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1H-indazol-5-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55517371
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CID 26954496
N-(2-chlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 30266765
N-(4-amino-3,5-dichlorophenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55450729
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide
CID 53497696
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-pentan-3-ylacetamide
CID 24680950
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 24563675
N-cycloheptyl-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4783612
N-(3-aminopropyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 119404828
methyl 2-[2-[[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 38986049
N-(2-ethylsulfonylphenyl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55613603
4-oxo-N'-[2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetyl]-3H-phthalazine-1-carbohydrazide
CID 27565761

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide (CID 52719526) is 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide is O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide?
The InChIKey is YPGCWUYZJWNZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2S3/c25-16(21-15-7-12(22-23-15)14-4-2-6-28-14)8-24-10-20-18-17(19(24)26)11(9-29-18)13-3-1-5-27-13/h1-7,9-10H,8H2,(H2,21,22,23,25).
What are the key properties of 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide?
2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide has a molecular weight of 439.55 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 52719526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).