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

C11H8N4OS2 — CID 22674428

IUPAC(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
SMILESNNc1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C11H8N4OS2/c12-15-11-13-6-3-5-18-10(6)8(14-11)9(16)7-2-1-4-17-7/h1-5H,12H2,(H,13,14,15)
InChIKeyNCWKPHUIOGEAFJ-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.27
Rot. Bonds3

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

(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone (PubChem CID 22674428) has the molecular formula C11H8N4OS2 and a molecular weight of 276.35 g/mol. Its IUPAC name is (2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
PubChem CID22674428
Molecular FormulaC11H8N4OS2
Molecular Weight276.35 g/mol
Exact Mass276.01
IUPAC Name(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
SMILESNNc1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C11H8N4OS2/c12-15-11-13-6-3-5-18-10(6)8(14-11)9(16)7-2-1-4-17-7/h1-5H,12H2,(H,13,14,15)
InChIKeyNCWKPHUIOGEAFJ-UHFFFAOYSA-N
XLogP2.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-(Ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674410
[2-(3-Hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674411
[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
(2-Aminothieno[3,2-d]pyrimidin-4-yl)(5-methylthiophen-2-yl)methanone
CID 46882997

Frequently Asked Questions

What is the IUPAC name of (2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The IUPAC name of (2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone (CID 22674428) is (2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone is NNc1nc(C(=O)c2cccs2)c2sccc2n1.
What is the InChIKey of (2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
The InChIKey is NCWKPHUIOGEAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS2/c12-15-11-13-6-3-5-18-10(6)8(14-11)9(16)7-2-1-4-17-7/h1-5H,12H2,(H,13,14,15).
What are the key properties of (2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone?
(2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone has a molecular weight of 276.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydrazinylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 22674428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).