N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide

C19H14N4OS — CID 25023775

IUPACN-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide
SMILESNc1ncnc2scc(-c3ccc(NC(=O)c4ccccc4)cc3)c12
InChIInChI=1S/C19H14N4OS/c20-17-16-15(10-25-19(16)22-11-21-17)12-6-8-14(9-7-12)23-18(24)13-4-2-1-3-5-13/h1-11H,(H,23,24)(H2,20,21,22)
InChIKeyLEOUBHRICJROPC-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.19
Rot. Bonds3

About N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide

N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide (PubChem CID 25023775) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide
PubChem CID25023775
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC NameN-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide
SMILESNc1ncnc2scc(-c3ccc(NC(=O)c4ccccc4)cc3)c12
InChIInChI=1S/C19H14N4OS/c20-17-16-15(10-25-19(16)22-11-21-17)12-6-8-14(9-7-12)23-18(24)13-4-2-1-3-5-13/h1-11H,(H,23,24)(H2,20,21,22)
InChIKeyLEOUBHRICJROPC-UHFFFAOYSA-N
XLogP4.19
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide?
The IUPAC name of N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide (CID 25023775) is N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide is Nc1ncnc2scc(-c3ccc(NC(=O)c4ccccc4)cc3)c12.
What is the InChIKey of N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide?
The InChIKey is LEOUBHRICJROPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c20-17-16-15(10-25-19(16)22-11-21-17)12-6-8-14(9-7-12)23-18(24)13-4-2-1-3-5-13/h1-11H,(H,23,24)(H2,20,21,22).
What are the key properties of N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide?
N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide has a molecular weight of 346.42 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]benzamide is sourced from PubChem (CID 25023775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).