(5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone

C19H16N4OS2 — CID 46883107

IUPAC(5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESCc1ccc(C(=O)c2nc(NC(C)c3cccnc3)nc3ccsc23)s1
InChIInChI=1S/C19H16N4OS2/c1-11-5-6-15(26-11)17(24)16-18-14(7-9-25-18)22-19(23-16)21-12(2)13-4-3-8-20-10-13/h3-10,12H,1-2H3,(H,21,22,23)
InChIKeyIRZLOJUOCLXRAI-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.86
Rot. Bonds5

About (5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone

(5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone (PubChem CID 46883107) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
PubChem CID46883107
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC Name(5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESCc1ccc(C(=O)c2nc(NC(C)c3cccnc3)nc3ccsc23)s1
InChIInChI=1S/C19H16N4OS2/c1-11-5-6-15(26-11)17(24)16-18-14(7-9-25-18)22-19(23-16)21-12(2)13-4-3-8-20-10-13/h3-10,12H,1-2H3,(H,21,22,23)
InChIKeyIRZLOJUOCLXRAI-UHFFFAOYSA-N
XLogP4.86
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The IUPAC name of (5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone (CID 46883107) is (5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone is Cc1ccc(C(=O)c2nc(NC(C)c3cccnc3)nc3ccsc23)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The InChIKey is IRZLOJUOCLXRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-11-5-6-15(26-11)17(24)16-18-14(7-9-25-18)22-19(23-16)21-12(2)13-4-3-8-20-10-13/h3-10,12H,1-2H3,(H,21,22,23).
What are the key properties of (5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
(5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone has a molecular weight of 380.50 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone is sourced from PubChem (CID 46883107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).