1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide

C13H19N5O2S — CID 63590293

IUPAC1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide
SMILESCc1cnc(SCC(=O)N2CCC(C(=O)NN)CC2)nc1
InChIInChI=1S/C13H19N5O2S/c1-9-6-15-13(16-7-9)21-8-11(19)18-4-2-10(3-5-18)12(20)17-14/h6-7,10H,2-5,8,14H2,1H3,(H,17,20)
InChIKeyKOUTUEXSGHRGCX-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.11
Rot. Bonds4

About 1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide

1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide (PubChem CID 63590293) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide
PubChem CID63590293
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide
SMILESCc1cnc(SCC(=O)N2CCC(C(=O)NN)CC2)nc1
InChIInChI=1S/C13H19N5O2S/c1-9-6-15-13(16-7-9)21-8-11(19)18-4-2-10(3-5-18)12(20)17-14/h6-7,10H,2-5,8,14H2,1H3,(H,17,20)
InChIKeyKOUTUEXSGHRGCX-UHFFFAOYSA-N
XLogP0.11
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide
CID 63581531
1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63580535
1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidin-4-one
CID 61382896
1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63581145
1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 107782874
1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
CID 55213875
1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794164
1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 107760970
ethyl 1-[2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 23914220
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794063
2-[5-(hydroxymethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 114236277
1-[2-(3-hydroxypropylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 66128765

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide (CID 63590293) is 1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide is Cc1cnc(SCC(=O)N2CCC(C(=O)NN)CC2)nc1.
What is the InChIKey of 1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide?
The InChIKey is KOUTUEXSGHRGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-6-15-13(16-7-9)21-8-11(19)18-4-2-10(3-5-18)12(20)17-14/h6-7,10H,2-5,8,14H2,1H3,(H,17,20).
What are the key properties of 1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide?
1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide has a molecular weight of 309.40 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63590293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).