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

C17H24N4O2S2 — CID 30868644

IUPAC4-tert-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C17H24N4O2S2/c1-17(2,3)15-13-24-16(19-15)12-20-7-9-21(10-8-20)25(22,23)14-5-4-6-18-11-14/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyFVBRUXUSGXAJGD-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.34
Rot. Bonds4

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

4-tert-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 30868644) has the molecular formula C17H24N4O2S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-tert-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID30868644
Molecular FormulaC17H24N4O2S2
Molecular Weight380.54 g/mol
Exact Mass380.13
IUPAC Name4-tert-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)(C)c1csc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)n1
InChIInChI=1S/C17H24N4O2S2/c1-17(2,3)15-13-24-16(19-15)12-20-7-9-21(10-8-20)25(22,23)14-5-4-6-18-11-14/h4-6,11,13H,7-10,12H2,1-3H3
InChIKeyFVBRUXUSGXAJGD-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Pyridinyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazole
CID 1033156
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 16195644
3-{4-[4-(Methylsulfonyl)phenyl]-1,3-thiazol-2-yl}pyridine
CID 16413299
4-(Tert-butyl)-2-[(2-pyridylsulfonyl)methyl]-1,3-thiazole
CID 2744018
3-{4-[3-(Piperidin-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl}pyridine
CID 663534
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 3239290
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 5310121
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 5310288
5-ethyl-N-[[2-(3-pyridinyl)-4-thiazolyl]methyl]-2-thiophenesulfonamide
CID 5310463
5-ethyl-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)thiophene-2-sulfonamide
CID 9551571
2-Methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 18144733
(2S,5R)-2-[4-(5-fluoro-2-pyridinyl)-1,3-thiazol-2-yl]-2,5-dimethyl-5-methylsulfonyl-3,4-dihydropyridin-6-amine
CID 168286189

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole (CID 30868644) is 4-tert-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is CC(C)(C)c1csc(CN2CCN(S(=O)(=O)c3cccnc3)CC2)n1.
What is the InChIKey of 4-tert-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is FVBRUXUSGXAJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2/c1-17(2,3)15-13-24-16(19-15)12-20-7-9-21(10-8-20)25(22,23)14-5-4-6-18-11-14/h4-6,11,13H,7-10,12H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole?
4-tert-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 380.54 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 30868644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).