[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone

C13H11N3OS2 — CID 22674410

IUPAC[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
SMILESCCNc1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C13H11N3OS2/c1-2-14-13-15-8-5-7-19-12(8)10(16-13)11(17)9-4-3-6-18-9/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyQKJVMMLPDDHLMS-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.42
Rot. Bonds4

About [2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone

[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone (PubChem CID 22674410) has the molecular formula C13H11N3OS2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
PubChem CID22674410
Molecular FormulaC13H11N3OS2
Molecular Weight289.38 g/mol
Exact Mass289.03
IUPAC Name[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
SMILESCCNc1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C13H11N3OS2/c1-2-14-13-15-8-5-7-19-12(8)10(16-13)11(17)9-4-3-6-18-9/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyQKJVMMLPDDHLMS-UHFFFAOYSA-N
XLogP3.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Aminothieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone
CID 9903342
Thiophen-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 11278445
2-Ethylthieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone
CID 22674365
(2-Methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 22674372
(2-Methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 22674386
[2-(2-Hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674390
Thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 22674393
[2-(3-Hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674411
2-Hydrazinothieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone
CID 22674428
[2-(Dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674456
[2-(Benzylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674477
1,3-Thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 22674484

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone (CID 22674410) is [2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone is CCNc1nc(C(=O)c2cccs2)c2sccc2n1.
What is the InChIKey of [2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is QKJVMMLPDDHLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS2/c1-2-14-13-15-8-5-7-19-12(8)10(16-13)11(17)9-4-3-6-18-9/h3-7H,2H2,1H3,(H,14,15,16).
What are the key properties of [2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
[2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 289.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 22674410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).