N'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide

C11H15ClN4O2S — CID 174539144

IUPACN'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide
SMILESCN1CCN(C(=O)NNC(=O)c2sccc2Cl)CC1
InChIInChI=1S/C11H15ClN4O2S/c1-15-3-5-16(6-4-15)11(18)14-13-10(17)9-8(12)2-7-19-9/h2,7H,3-6H2,1H3,(H,13,17)(H,14,18)
InChIKeyGJLAJMZTFZFRBH-UHFFFAOYSA-N
MW302.79 g/mol
LogP1.00
Rot. Bonds1

About N'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide

N'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide (PubChem CID 174539144) has the molecular formula C11H15ClN4O2S and a molecular weight of 302.79 g/mol. Its IUPAC name is N'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide
PubChem CID174539144
Molecular FormulaC11H15ClN4O2S
Molecular Weight302.79 g/mol
Exact Mass302.06
IUPAC NameN'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide
SMILESCN1CCN(C(=O)NNC(=O)c2sccc2Cl)CC1
InChIInChI=1S/C11H15ClN4O2S/c1-15-3-5-16(6-4-15)11(18)14-13-10(17)9-8(12)2-7-19-9/h2,7H,3-6H2,1H3,(H,13,17)(H,14,18)
InChIKeyGJLAJMZTFZFRBH-UHFFFAOYSA-N
XLogP1.00
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide?
The IUPAC name of N'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide (CID 174539144) is N'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide.
What is the SMILES notation for N'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide?
The canonical SMILES for N'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide is CN1CCN(C(=O)NNC(=O)c2sccc2Cl)CC1.
What is the InChIKey of N'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide?
The InChIKey is GJLAJMZTFZFRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2S/c1-15-3-5-16(6-4-15)11(18)14-13-10(17)9-8(12)2-7-19-9/h2,7H,3-6H2,1H3,(H,13,17)(H,14,18).
What are the key properties of N'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide?
N'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide has a molecular weight of 302.79 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide is sourced from PubChem (CID 174539144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).