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

C11H15ClN4O2S — CID 69107535

IUPACN-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide
SMILESCN1CCN(C(=O)N(N)C(=O)c2sccc2Cl)CC1
InChIInChI=1S/C11H15ClN4O2S/c1-14-3-5-15(6-4-14)11(18)16(13)10(17)9-8(12)2-7-19-9/h2,7H,3-6,13H2,1H3
InChIKeySUGJNQKNNRAGHQ-UHFFFAOYSA-N
MW302.79 g/mol
LogP1.08
Rot. Bonds1

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

N-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide (PubChem CID 69107535) 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 CID69107535
Molecular FormulaC11H15ClN4O2S
Molecular Weight302.79 g/mol
Exact Mass302.06
IUPAC NameN-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide
SMILESCN1CCN(C(=O)N(N)C(=O)c2sccc2Cl)CC1
InChIInChI=1S/C11H15ClN4O2S/c1-14-3-5-15(6-4-14)11(18)16(13)10(17)9-8(12)2-7-19-9/h2,7H,3-6,13H2,1H3
InChIKeySUGJNQKNNRAGHQ-UHFFFAOYSA-N
XLogP1.08
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 51.08
H-Bond Donors ≤ 51
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 N-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide?
The IUPAC name of N-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide (CID 69107535) 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)N(N)C(=O)c2sccc2Cl)CC1.
What is the InChIKey of N-(3-chlorothiophene-2-carbonyl)-4-methylpiperazine-1-carbohydrazide?
The InChIKey is SUGJNQKNNRAGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2S/c1-14-3-5-15(6-4-14)11(18)16(13)10(17)9-8(12)2-7-19-9/h2,7H,3-6,13H2,1H3.
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 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 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 69107535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).