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

C11H18N4OS — CID 82427919

IUPAC4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCCC(C)C2)sc1C(=O)NN
InChIInChI=1S/C11H18N4OS/c1-7-4-3-5-15(6-7)11-13-8(2)9(17-11)10(16)14-12/h7H,3-6,12H2,1-2H3,(H,14,16)
InChIKeyJXIOOGVFHIXKTA-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.29
Rot. Bonds2

About 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide

4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide (PubChem CID 82427919) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
PubChem CID82427919
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCCC(C)C2)sc1C(=O)NN
InChIInChI=1S/C11H18N4OS/c1-7-4-3-5-15(6-7)11-13-8(2)9(17-11)10(16)14-12/h7H,3-6,12H2,1-2H3,(H,14,16)
InChIKeyJXIOOGVFHIXKTA-UHFFFAOYSA-N
XLogP1.29
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.29
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'}

Analyze 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide with MolForge

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Related Compounds

ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 78916486
2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
CID 82425308
4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63626853
4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62765777
methyl 2-(3-ethylpiperidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570547
methyl 2-[3-(hydroxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569455
2-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetonitrile
CID 82427908
N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62750048
ethyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 65168577
2,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 94115528
4-methyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62764272

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide (CID 82427919) is 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCCC(C)C2)sc1C(=O)NN.
What is the InChIKey of 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is JXIOOGVFHIXKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7-4-3-5-15(6-7)11-13-8(2)9(17-11)10(16)14-12/h7H,3-6,12H2,1-2H3,(H,14,16).
What are the key properties of 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide?
4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 254.36 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 82427919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).