5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide

C14H24N4OS — CID 80733545

IUPAC5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN(C)C1CCN(C)CC1
InChIInChI=1S/C14H24N4OS/c1-10-11(8-13(20-10)14(19)16-15)9-18(3)12-4-6-17(2)7-5-12/h8,12H,4-7,9,15H2,1-3H3,(H,16,19)
InChIKeyRYFRCCDXKBSRSP-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.19
Rot. Bonds4

About 5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide

5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide (PubChem CID 80733545) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide
PubChem CID80733545
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN(C)C1CCN(C)CC1
InChIInChI=1S/C14H24N4OS/c1-10-11(8-13(20-10)14(19)16-15)9-18(3)12-4-6-17(2)7-5-12/h8,12H,4-7,9,15H2,1-3H3,(H,16,19)
InChIKeyRYFRCCDXKBSRSP-UHFFFAOYSA-N
XLogP1.19
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.19
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 5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide (CID 80733545) is 5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1CN(C)C1CCN(C)CC1.
What is the InChIKey of 5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide?
The InChIKey is RYFRCCDXKBSRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-10-11(8-13(20-10)14(19)16-15)9-18(3)12-4-6-17(2)7-5-12/h8,12H,4-7,9,15H2,1-3H3,(H,16,19).
What are the key properties of 5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide?
5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide has a molecular weight of 296.44 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 80733545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).