2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide

C12H17N5OS2 — CID 114234605

IUPAC2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSCc1nc(NN)c2ccsc2n1
InChIInChI=1S/C12H17N5OS2/c1-7(2)14-10(18)6-19-5-9-15-11(17-13)8-3-4-20-12(8)16-9/h3-4,7H,5-6,13H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeySIFRNHBBPLMCDR-UHFFFAOYSA-N
MW311.44 g/mol
LogP1.73
Rot. Bonds6

About 2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide

2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide (PubChem CID 114234605) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide
PubChem CID114234605
Molecular FormulaC12H17N5OS2
Molecular Weight311.44 g/mol
Exact Mass311.09
IUPAC Name2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSCc1nc(NN)c2ccsc2n1
InChIInChI=1S/C12H17N5OS2/c1-7(2)14-10(18)6-19-5-9-15-11(17-13)8-3-4-20-12(8)16-9/h3-4,7H,5-6,13H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeySIFRNHBBPLMCDR-UHFFFAOYSA-N
XLogP1.73
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 51.73
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide (CID 114234605) is 2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSCc1nc(NN)c2ccsc2n1.
What is the InChIKey of 2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide?
The InChIKey is SIFRNHBBPLMCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-7(2)14-10(18)6-19-5-9-15-11(17-13)8-3-4-20-12(8)16-9/h3-4,7H,5-6,13H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide?
2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide has a molecular weight of 311.44 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 114234605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).