2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C12H17N5S2 — CID 103334708

IUPAC2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNNc1nc(NCC2CCCCS2)c2ccsc2n1
InChIInChI=1S/C12H17N5S2/c13-17-12-15-10(9-4-6-19-11(9)16-12)14-7-8-3-1-2-5-18-8/h4,6,8H,1-3,5,7,13H2,(H2,14,15,16,17)
InChIKeyYQSYGMDTPRTDKH-UHFFFAOYSA-N
MW295.44 g/mol
LogP2.67
Rot. Bonds4

About 2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103334708) has the molecular formula C12H17N5S2 and a molecular weight of 295.44 g/mol. Its IUPAC name is 2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103334708
Molecular FormulaC12H17N5S2
Molecular Weight295.44 g/mol
Exact Mass295.09
IUPAC Name2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNNc1nc(NCC2CCCCS2)c2ccsc2n1
InChIInChI=1S/C12H17N5S2/c13-17-12-15-10(9-4-6-19-11(9)16-12)14-7-8-3-1-2-5-18-8/h4,6,8H,1-3,5,7,13H2,(H2,14,15,16,17)
InChIKeyYQSYGMDTPRTDKH-UHFFFAOYSA-N
XLogP2.67
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 52.67
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-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103334708) is 2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is NNc1nc(NCC2CCCCS2)c2ccsc2n1.
What is the InChIKey of 2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YQSYGMDTPRTDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S2/c13-17-12-15-10(9-4-6-19-11(9)16-12)14-7-8-3-1-2-5-18-8/h4,6,8H,1-3,5,7,13H2,(H2,14,15,16,17).
What are the key properties of 2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 295.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103334708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).