3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide

C16H13N5O2S2 — CID 55976071

IUPAC3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)Nc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H13N5O2S2/c22-14(18-13-8-11(19-20-13)12-2-1-6-24-12)3-5-21-9-17-15-10(16(21)23)4-7-25-15/h1-2,4,6-9H,3,5H2,(H2,18,19,20,22)
InChIKeyNERNCBIUWGAWGX-UHFFFAOYSA-N
MW371.45 g/mol
LogP2.94
Rot. Bonds5

About 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 55976071) has the molecular formula C16H13N5O2S2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
PubChem CID55976071
Molecular FormulaC16H13N5O2S2
Molecular Weight371.45 g/mol
Exact Mass371.05
IUPAC Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide
SMILESO=C(CCn1cnc2sccc2c1=O)Nc1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H13N5O2S2/c22-14(18-13-8-11(19-20-13)12-2-1-6-24-12)3-5-21-9-17-15-10(16(21)23)4-7-25-15/h1-2,4,6-9H,3,5H2,(H2,18,19,20,22)
InChIKeyNERNCBIUWGAWGX-UHFFFAOYSA-N
XLogP2.94
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(2-thiophen-2-ylethynyl)phenyl]propanamide
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N-[5-(1,3-benzothiazol-2-yl)-2-pyridinyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
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N-[(3-chlorophenyl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide (CID 55976071) is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide is O=C(CCn1cnc2sccc2c1=O)Nc1cc(-c2cccs2)[nH]n1.
What is the InChIKey of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is NERNCBIUWGAWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S2/c22-14(18-13-8-11(19-20-13)12-2-1-6-24-12)3-5-21-9-17-15-10(16(21)23)4-7-25-15/h1-2,4,6-9H,3,5H2,(H2,18,19,20,22).
What are the key properties of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide?
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 371.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 55976071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).