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

C13H23N3O2S2 — CID 30868630

IUPAC4-tert-butyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(CN2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C13H23N3O2S2/c1-13(2,3)11-10-19-12(14-11)9-15-5-7-16(8-6-15)20(4,17)18/h10H,5-9H2,1-4H3
InChIKeyWIACIKUHBMLBEV-UHFFFAOYSA-N
MW317.48 g/mol
LogP1.52
Rot. Bonds3

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

4-tert-butyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 30868630) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-tert-butyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID30868630
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name4-tert-butyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(CN2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C13H23N3O2S2/c1-13(2,3)11-10-19-12(14-11)9-15-5-7-16(8-6-15)20(4,17)18/h10H,5-9H2,1-4H3
InChIKeyWIACIKUHBMLBEV-UHFFFAOYSA-N
XLogP1.52
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]piperazine
CID 28750248
1-{4-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]-1-piperazinyl}-1-ethanone
CID 44059930
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
CID 53591315
4-[(2-Propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328
4-methyl-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 126792573
N,4-Dimethyl-N-[(4-methyl-1,3-thiazol-2-YL)methyl]piperazine-1-sulfonamide
CID 129621508
4-Tert-butyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 30463386
2-Methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 90485341
2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 126792569
1-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluoropiperidine
CID 171333783
1-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]-4-(fluoromethyl)piperidine
CID 171690169
1-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]-3-(fluoromethyl)piperidine
CID 171690176

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (CID 30868630) is 4-tert-butyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is CC(C)(C)c1csc(CN2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 4-tert-butyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is WIACIKUHBMLBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-13(2,3)11-10-19-12(14-11)9-15-5-7-16(8-6-15)20(4,17)18/h10H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
4-tert-butyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 317.48 g/mol, XLogP of 1.52, 3 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-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 30868630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).