1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

C13H18N6OS — CID 103333914

IUPAC1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1cc2c(N3CCCC(C(N)=O)C3)nc(NN)nc2s1
InChIInChI=1S/C13H18N6OS/c1-7-5-9-11(16-13(18-15)17-12(9)21-7)19-4-2-3-8(6-19)10(14)20/h5,8H,2-4,6,15H2,1H3,(H2,14,20)(H,16,17,18)
InChIKeyLLTFGMYGYDYABL-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.99
Rot. Bonds3

About 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide

1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 103333914) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID103333914
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
SMILESCc1cc2c(N3CCCC(C(N)=O)C3)nc(NN)nc2s1
InChIInChI=1S/C13H18N6OS/c1-7-5-9-11(16-13(18-15)17-12(9)21-7)19-4-2-3-8(6-19)10(14)20/h5,8H,2-4,6,15H2,1H3,(H2,14,20)(H,16,17,18)
InChIKeyLLTFGMYGYDYABL-UHFFFAOYSA-N
XLogP0.99
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.99
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 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide (CID 103333914) is 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is Cc1cc2c(N3CCCC(C(N)=O)C3)nc(NN)nc2s1.
What is the InChIKey of 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is LLTFGMYGYDYABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-7-5-9-11(16-13(18-15)17-12(9)21-7)19-4-2-3-8(6-19)10(14)20/h5,8H,2-4,6,15H2,1H3,(H2,14,20)(H,16,17,18).
What are the key properties of 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide?
1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 103333914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).