1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide

C13H18N6OS — CID 103335921

IUPAC1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nc(NN)nc3sccc23)C1
InChIInChI=1S/C13H18N6OS/c1-15-11(20)8-3-2-5-19(7-8)10-9-4-6-21-12(9)17-13(16-10)18-14/h4,6,8H,2-3,5,7,14H2,1H3,(H,15,20)(H,16,17,18)
InChIKeySGHCVQAJMWMLED-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.94
Rot. Bonds3

About 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide

1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide (PubChem CID 103335921) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
PubChem CID103335921
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2nc(NN)nc3sccc23)C1
InChIInChI=1S/C13H18N6OS/c1-15-11(20)8-3-2-5-19(7-8)10-9-4-6-21-12(9)17-13(16-10)18-14/h4,6,8H,2-3,5,7,14H2,1H3,(H,15,20)(H,16,17,18)
InChIKeySGHCVQAJMWMLED-UHFFFAOYSA-N
XLogP0.94
TPSA96.17 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 ≤ 50.94
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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Related Compounds

[4-(3-propoxypiperidin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103332970
[4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103334986
1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 103333914
[4-(3,4,5-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103335844
[4-(4-ethyl-3-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103333711
[4-(1-oxo-1,4-thiazinan-4-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103332909
N-(1-amino-2-cyclopropylpropan-2-yl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 119575525
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325254
1-(6-hydrazinylpyrazin-2-yl)-N-methylpiperidine-3-carboxamide
CID 103198738
1-(6-hydrazinyl-3-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198724
N-(3-aminobutyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide;hydrochloride
CID 119499104
N-(4-aminophenyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxamide
CID 167778225

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide (CID 103335921) is 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2nc(NN)nc3sccc23)C1.
What is the InChIKey of 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
The InChIKey is SGHCVQAJMWMLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-15-11(20)8-3-2-5-19(7-8)10-9-4-6-21-12(9)17-13(16-10)18-14/h4,6,8H,2-3,5,7,14H2,1H3,(H,15,20)(H,16,17,18).
What are the key properties of 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide?
1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103335921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).