4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole

C15H27N3O2S2 — CID 30463386

IUPAC4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCCS(=O)(=O)N1CCN(Cc2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C15H27N3O2S2/c1-5-10-22(19,20)18-8-6-17(7-9-18)11-14-16-13(12-21-14)15(2,3)4/h12H,5-11H2,1-4H3
InChIKeyMMVKEWKHPZSAKO-UHFFFAOYSA-N
MW345.53 g/mol
LogP2.30
Rot. Bonds5

About 4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole

4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 30463386) has the molecular formula C15H27N3O2S2 and a molecular weight of 345.53 g/mol. Its IUPAC name is 4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID30463386
Molecular FormulaC15H27N3O2S2
Molecular Weight345.53 g/mol
Exact Mass345.15
IUPAC Name4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCCS(=O)(=O)N1CCN(Cc2nc(C(C)(C)C)cs2)CC1
InChIInChI=1S/C15H27N3O2S2/c1-5-10-22(19,20)18-8-6-17(7-9-18)11-14-16-13(12-21-14)15(2,3)4/h12H,5-11H2,1-4H3
InChIKeyMMVKEWKHPZSAKO-UHFFFAOYSA-N
XLogP2.30
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (CID 30463386) is 4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is CCCS(=O)(=O)N1CCN(Cc2nc(C(C)(C)C)cs2)CC1.
What is the InChIKey of 4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is MMVKEWKHPZSAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S2/c1-5-10-22(19,20)18-8-6-17(7-9-18)11-14-16-13(12-21-14)15(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 345.53 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 30463386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).