N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide

C12H11N5O2S — CID 91632384

IUPACN-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCn1cnc2ccsc2c1=O)c1ccn[nH]1
InChIInChI=1S/C12H11N5O2S/c18-11(9-1-3-15-16-9)13-4-5-17-7-14-8-2-6-20-10(8)12(17)19/h1-3,6-7H,4-5H2,(H,13,18)(H,15,16)
InChIKeyZHSWPQJQDUQYNP-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.61
Rot. Bonds4

About N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide

N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 91632384) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID91632384
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC NameN-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCn1cnc2ccsc2c1=O)c1ccn[nH]1
InChIInChI=1S/C12H11N5O2S/c18-11(9-1-3-15-16-9)13-4-5-17-7-14-8-2-6-20-10(8)12(17)19/h1-3,6-7H,4-5H2,(H,13,18)(H,15,16)
InChIKeyZHSWPQJQDUQYNP-UHFFFAOYSA-N
XLogP0.61
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 91632384) is N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCn1cnc2ccsc2c1=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is ZHSWPQJQDUQYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c18-11(9-1-3-15-16-9)13-4-5-17-7-14-8-2-6-20-10(8)12(17)19/h1-3,6-7H,4-5H2,(H,13,18)(H,15,16).
What are the key properties of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide?
N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91632384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).