2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

C13H16F3N5O2S2 — CID 133383662

IUPAC2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(S(=O)(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)cn1C
InChIInChI=1S/C13H16F3N5O2S2/c1-9-17-11(7-19(9)2)25(22,23)21-5-3-20(4-6-21)12-18-10(8-24-12)13(14,15)16/h7-8H,3-6H2,1-2H3
InChIKeyDECDUURTZHDNHG-UHFFFAOYSA-N
MW395.43 g/mol
LogP1.71
Rot. Bonds3

About 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133383662) has the molecular formula C13H16F3N5O2S2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133383662
Molecular FormulaC13H16F3N5O2S2
Molecular Weight395.43 g/mol
Exact Mass395.07
IUPAC Name2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(S(=O)(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)cn1C
InChIInChI=1S/C13H16F3N5O2S2/c1-9-17-11(7-19(9)2)25(22,23)21-5-3-20(4-6-21)12-18-10(8-24-12)13(14,15)16/h7-8H,3-6H2,1-2H3
InChIKeyDECDUURTZHDNHG-UHFFFAOYSA-N
XLogP1.71
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 133383662) is 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is Cc1nc(S(=O)(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)cn1C.
What is the InChIKey of 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is DECDUURTZHDNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O2S2/c1-9-17-11(7-19(9)2)25(22,23)21-5-3-20(4-6-21)12-18-10(8-24-12)13(14,15)16/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 395.43 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133383662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).