2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide

C12H22N4O2S2 — CID 119994710

IUPAC2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCCCN2CCNCC2)s1
InChIInChI=1S/C12H22N4O2S2/c1-10-12(19-11(2)15-10)20(17,18)14-4-3-7-16-8-5-13-6-9-16/h13-14H,3-9H2,1-2H3
InChIKeyZRGGNNKXXBMXLT-UHFFFAOYSA-N
MW318.47 g/mol
LogP0.33
Rot. Bonds6

About 2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide

2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 119994710) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
PubChem CID119994710
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCCCN2CCNCC2)s1
InChIInChI=1S/C12H22N4O2S2/c1-10-12(19-11(2)15-10)20(17,18)14-4-3-7-16-8-5-13-6-9-16/h13-14H,3-9H2,1-2H3
InChIKeyZRGGNNKXXBMXLT-UHFFFAOYSA-N
XLogP0.33
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 50.33
H-Bond Donors ≤ 52
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-(3-piperazin-1-ylpropyl)-3H-1,3-thiazole-5-sulfonamide
CID 43607055
2-chloro-4-methyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
CID 61052463
N-(3-aminopropyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 119962087
N-(2-hydroxyethyl)-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 170974434
4-methyl-2-oxo-N-(2-piperazin-1-ylethyl)-3H-1,3-thiazole-5-sulfonamide
CID 43605139
4-fluoro-2,6-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 120706430
2-ethyl-N-(3-piperazin-1-ylpropyl)pyrazole-3-sulfonamide
CID 120706370
4-fluoro-3,5-dimethyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 119994706
N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 99831960
3-fluoro-4-methyl-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607069
4-iodo-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43607064
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide (CID 119994710) is 2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)NCCCN2CCNCC2)s1.
What is the InChIKey of 2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is ZRGGNNKXXBMXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-10-12(19-11(2)15-10)20(17,18)14-4-3-7-16-8-5-13-6-9-16/h13-14H,3-9H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 318.47 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 119994710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).