N-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C14H15N5O2S — CID 47025764

IUPACN-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2cnc3sccc3c2=O)n(C)n1
InChIInChI=1S/C14H15N5O2S/c1-9-7-11(18(2)17-9)16-12(20)3-5-19-8-15-13-10(14(19)21)4-6-22-13/h4,6-8H,3,5H2,1-2H3,(H,16,20)
InChIKeyHSEIWLBIZXKYKX-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.53
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 47025764) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID47025764
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2cnc3sccc3c2=O)n(C)n1
InChIInChI=1S/C14H15N5O2S/c1-9-7-11(18(2)17-9)16-12(20)3-5-19-8-15-13-10(14(19)21)4-6-22-13/h4,6-8H,3,5H2,1-2H3,(H,16,20)
InChIKeyHSEIWLBIZXKYKX-UHFFFAOYSA-N
XLogP1.53
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 47025764) is N-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is Cc1cc(NC(=O)CCn2cnc3sccc3c2=O)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is HSEIWLBIZXKYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-9-7-11(18(2)17-9)16-12(20)3-5-19-8-15-13-10(14(19)21)4-6-22-13/h4,6-8H,3,5H2,1-2H3,(H,16,20).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 317.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 47025764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).