N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide

C12H18N4O2S — CID 82756313

IUPACN'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide
SMILESC[C@H]1CNCCN1CC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C12H18N4O2S/c1-9-7-13-4-5-16(9)8-11(17)14-15-12(18)10-3-2-6-19-10/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKeyQHOSMEPPSXRFNB-VIFPVBQESA-N
MW282.37 g/mol
LogP-0.20
Rot. Bonds3

About N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide

N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide (PubChem CID 82756313) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide
PubChem CID82756313
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide
SMILESC[C@H]1CNCCN1CC(=O)NNC(=O)c1cccs1
InChIInChI=1S/C12H18N4O2S/c1-9-7-13-4-5-16(9)8-11(17)14-15-12(18)10-3-2-6-19-10/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,14,17)(H,15,18)/t9-/m0/s1
InChIKeyQHOSMEPPSXRFNB-VIFPVBQESA-N
XLogP-0.20
TPSA73.47 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 ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone
CID 97163371
N'-[2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetyl]thiophene-2-carbohydrazide
CID 81209025
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393
[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705304
[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705008
1-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]piperidine-2-carboxylic acid
CID 43441254
N'-[2-(4-hydroxypiperidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 60674119
N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82714024
N'-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]thiophene-2-carbohydrazide
CID 103577312
N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704678
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
2-[(2R)-2-methylpiperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 82713294

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide (CID 82756313) is N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide is C[C@H]1CNCCN1CC(=O)NNC(=O)c1cccs1.
What is the InChIKey of N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide?
The InChIKey is QHOSMEPPSXRFNB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-9-7-13-4-5-16(9)8-11(17)14-15-12(18)10-3-2-6-19-10/h2-3,6,9,13H,4-5,7-8H2,1H3,(H,14,17)(H,15,18)/t9-/m0/s1.
What are the key properties of N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide?
N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide has a molecular weight of 282.37 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 82756313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).