2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide

C10H16N4OS — CID 82425308

IUPAC2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
SMILESCC1CCCN(c2ncc(C(=O)NN)s2)C1
InChIInChI=1S/C10H16N4OS/c1-7-3-2-4-14(6-7)10-12-5-8(16-10)9(15)13-11/h5,7H,2-4,6,11H2,1H3,(H,13,15)
InChIKeyRSLOTKVDRRILND-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.98
Rot. Bonds2

About 2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide

2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide (PubChem CID 82425308) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
PubChem CID82425308
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
SMILESCC1CCCN(c2ncc(C(=O)NN)s2)C1
InChIInChI=1S/C10H16N4OS/c1-7-3-2-4-14(6-7)10-12-5-8(16-10)9(15)13-11/h5,7H,2-4,6,11H2,1H3,(H,13,15)
InChIKeyRSLOTKVDRRILND-UHFFFAOYSA-N
XLogP0.98
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide (CID 82425308) is 2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide is CC1CCCN(c2ncc(C(=O)NN)s2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is RSLOTKVDRRILND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7-3-2-4-14(6-7)10-12-5-8(16-10)9(15)13-11/h5,7H,2-4,6,11H2,1H3,(H,13,15).
What are the key properties of 2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide?
2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 240.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82425308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).