4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide

C11H20N4O3S2 — CID 43607055

IUPAC4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCN1CCNCC1
InChIInChI=1S/C11H20N4O3S2/c1-9-10(19-11(16)14-9)20(17,18)13-3-2-6-15-7-4-12-5-8-15/h12-13H,2-8H2,1H3,(H,14,16)
InChIKeyJUFYOGUPEFVYMY-UHFFFAOYSA-N
MW320.44 g/mol
LogP-0.68
Rot. Bonds6

About 4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 43607055) has the molecular formula C11H20N4O3S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID43607055
Molecular FormulaC11H20N4O3S2
Molecular Weight320.44 g/mol
Exact Mass320.10
IUPAC Name4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)NCCCN1CCNCC1
InChIInChI=1S/C11H20N4O3S2/c1-9-10(19-11(16)14-9)20(17,18)13-3-2-6-15-7-4-12-5-8-15/h12-13H,2-8H2,1H3,(H,14,16)
InChIKeyJUFYOGUPEFVYMY-UHFFFAOYSA-N
XLogP-0.68
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide
CID 43605139
4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60984797
2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
CID 119994710
4-methyl-2-oxo-N-pentyl-3H-1,3-thiazole-5-sulfonamide
CID 60723581
N-[2-(cyclopropylamino)ethyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 62662828
4-methyl-N-(5-methylhexyl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 115326850
4-methyl-2-oxo-N-pent-4-ynyl-3H-1,3-thiazole-5-sulfonamide
CID 106222743
methyl 6-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]hexanoate
CID 43423054
N-cyclopropyl-4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]butanamide
CID 79395251
4-fluoro-2,6-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 120706430
4-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 106024978
4-fluoro-3,5-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994706

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide (CID 43607055) is 4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)NCCCN1CCNCC1.
What is the InChIKey of 4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is JUFYOGUPEFVYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S2/c1-9-10(19-11(16)14-9)20(17,18)13-3-2-6-15-7-4-12-5-8-15/h12-13H,2-8H2,1H3,(H,14,16).
What are the key properties of 4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 320.44 g/mol, XLogP of -0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43607055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).