N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide

C13H11N3O2S2 — CID 91632389

IUPACN-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCn1cnc2ccsc2c1=O)c1ccsc1
InChIInChI=1S/C13H11N3O2S2/c17-12(9-1-5-19-7-9)14-3-4-16-8-15-10-2-6-20-11(10)13(16)18/h1-2,5-8H,3-4H2,(H,14,17)
InChIKeyYELKIIXGTQSXIW-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.95
Rot. Bonds4

About N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide

N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide (PubChem CID 91632389) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide
PubChem CID91632389
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC NameN-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide
SMILESO=C(NCCn1cnc2ccsc2c1=O)c1ccsc1
InChIInChI=1S/C13H11N3O2S2/c17-12(9-1-5-19-7-9)14-3-4-16-8-15-10-2-6-20-11(10)13(16)18/h1-2,5-8H,3-4H2,(H,14,17)
InChIKeyYELKIIXGTQSXIW-UHFFFAOYSA-N
XLogP1.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxo-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-quinoline-4-carboxamide
CID 91632376
N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-9H-xanthene-9-carboxamide
CID 91632361
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
3-[3-(2-methylpropylamino)propyl]thieno[3,2-d]pyrimidin-4-one
CID 62563421
3-nonylthieno[3,2-d]pyrimidin-4-one
CID 115582352
3-hexylthieno[3,2-d]pyrimidin-4-one
CID 115582354
4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577775
3-[2-(2-hydroxyethoxy)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 39754273
3-(3-anilinopropyl)thieno[3,2-d]pyrimidin-4-one
CID 62563244
3-[2-(4-hydroxypiperidin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111461745
3-[2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 71859872
3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 63316067

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide (CID 91632389) is N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide is O=C(NCCn1cnc2ccsc2c1=O)c1ccsc1.
What is the InChIKey of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is YELKIIXGTQSXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c17-12(9-1-5-19-7-9)14-3-4-16-8-15-10-2-6-20-11(10)13(16)18/h1-2,5-8H,3-4H2,(H,14,17).
What are the key properties of N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide?
N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 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]thiophene-3-carboxamide is sourced from PubChem (CID 91632389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).