5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide

C12H18N4O2S — CID 80733807

IUPAC5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN1CCNC(=O)C1C
InChIInChI=1S/C12H18N4O2S/c1-7-11(17)14-3-4-16(7)6-9-5-10(12(18)15-13)19-8(9)2/h5,7H,3-4,6,13H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyUPWORUHNRYELIL-UHFFFAOYSA-N
MW282.37 g/mol
LogP-0.02
Rot. Bonds3

About 5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide

5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide (PubChem CID 80733807) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide
PubChem CID80733807
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide
SMILESCc1sc(C(=O)NN)cc1CN1CCNC(=O)C1C
InChIInChI=1S/C12H18N4O2S/c1-7-11(17)14-3-4-16(7)6-9-5-10(12(18)15-13)19-8(9)2/h5,7H,3-4,6,13H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyUPWORUHNRYELIL-UHFFFAOYSA-N
XLogP-0.02
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
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-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide (CID 80733807) is 5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide is Cc1sc(C(=O)NN)cc1CN1CCNC(=O)C1C.
What is the InChIKey of 5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
The InChIKey is UPWORUHNRYELIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-7-11(17)14-3-4-16(7)6-9-5-10(12(18)15-13)19-8(9)2/h5,7H,3-4,6,13H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide?
5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide has a molecular weight of 282.37 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 80733807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).