3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C15H17N5O2S — CID 30187271

IUPAC3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C15H17N5O2S/c1-10(2)20-12(3-6-17-20)18-13(21)4-7-19-9-16-14-11(15(19)22)5-8-23-14/h3,5-6,8-10H,4,7H2,1-2H3,(H,18,21)
InChIKeyBIEJQYHNMZATTD-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.26
Rot. Bonds5

About 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 30187271) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID30187271
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCn1cnc2sccc2c1=O
InChIInChI=1S/C15H17N5O2S/c1-10(2)20-12(3-6-17-20)18-13(21)4-7-19-9-16-14-11(15(19)22)5-8-23-14/h3,5-6,8-10H,4,7H2,1-2H3,(H,18,21)
InChIKeyBIEJQYHNMZATTD-UHFFFAOYSA-N
XLogP2.26
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 30187271) is 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)CCn1cnc2sccc2c1=O.
What is the InChIKey of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is BIEJQYHNMZATTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-10(2)20-12(3-6-17-20)18-13(21)4-7-19-9-16-14-11(15(19)22)5-8-23-14/h3,5-6,8-10H,4,7H2,1-2H3,(H,18,21).
What are the key properties of 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 331.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 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-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 30187271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).