2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide

C19H15N5O2S2 — CID 11502420

IUPAC2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide
SMILESNNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1cccnc1
InChIInChI=1S/C19H15N5O2S2/c20-23-15(25)11-28-19-22-17-16(14(10-27-17)12-5-2-1-3-6-12)18(26)24(19)13-7-4-8-21-9-13/h1-10H,11,20H2,(H,23,25)
InChIKeyMKHDZGLFSNQGKZ-UHFFFAOYSA-N
MW409.50 g/mol
LogP2.59
Rot. Bonds5

About 2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide

2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide (PubChem CID 11502420) has the molecular formula C19H15N5O2S2 and a molecular weight of 409.50 g/mol. Its IUPAC name is 2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide
PubChem CID11502420
Molecular FormulaC19H15N5O2S2
Molecular Weight409.50 g/mol
Exact Mass409.07
IUPAC Name2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide
SMILESNNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1cccnc1
InChIInChI=1S/C19H15N5O2S2/c20-23-15(25)11-28-19-22-17-16(14(10-27-17)12-5-2-1-3-6-12)18(26)24(19)13-7-4-8-21-9-13/h1-10H,11,20H2,(H,23,25)
InChIKeyMKHDZGLFSNQGKZ-UHFFFAOYSA-N
XLogP2.59
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide?
The IUPAC name of 2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide (CID 11502420) is 2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide?
The canonical SMILES for 2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide is NNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1cccnc1.
What is the InChIKey of 2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide?
The InChIKey is MKHDZGLFSNQGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S2/c20-23-15(25)11-28-19-22-17-16(14(10-27-17)12-5-2-1-3-6-12)18(26)24(19)13-7-4-8-21-9-13/h1-10H,11,20H2,(H,23,25).
What are the key properties of 2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide?
2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide has a molecular weight of 409.50 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5-phenyl-3-pyridin-3-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetohydrazide is sourced from PubChem (CID 11502420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).