5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole

C11H19N3O2S2 — CID 141119383

IUPAC5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCCS(=O)(=O)N1CCN(Cc2cncs2)CC1
InChIInChI=1S/C11H19N3O2S2/c1-2-7-18(15,16)14-5-3-13(4-6-14)9-11-8-12-10-17-11/h8,10H,2-7,9H2,1H3
InChIKeyXMXGXGFYNHKZMZ-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.00
Rot. Bonds5

About 5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole

5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 141119383) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID141119383
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCCS(=O)(=O)N1CCN(Cc2cncs2)CC1
InChIInChI=1S/C11H19N3O2S2/c1-2-7-18(15,16)14-5-3-13(4-6-14)9-11-8-12-10-17-11/h8,10H,2-7,9H2,1H3
InChIKeyXMXGXGFYNHKZMZ-UHFFFAOYSA-N
XLogP1.00
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738462
1-propylsulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 61383814
1-propylsulfonyl-4-(thiophen-3-ylmethyl)piperazine
CID 770650
N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 163344051
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 163348150
1-[(4-fluorophenyl)methyl]-4-propylsulfonylpiperazine
CID 770688
5-ethyl-3-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 60570659
5-tert-butyl-2-[(4-propylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-oxazole
CID 95751860
N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine
CID 55573570
1-butylsulfonyl-4-(pyridin-3-ylmethyl)piperazine
CID 110709141
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (CID 141119383) is 5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is CCCS(=O)(=O)N1CCN(Cc2cncs2)CC1.
What is the InChIKey of 5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is XMXGXGFYNHKZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-2-7-18(15,16)14-5-3-13(4-6-14)9-11-8-12-10-17-11/h8,10H,2-7,9H2,1H3.
What are the key properties of 5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 289.43 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 141119383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).