2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide

C11H17F3N4O2S2 — CID 120778826

IUPAC2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)s1
InChIInChI=1S/C11H17F3N4O2S2/c1-8-16-7-10(21-8)22(19,20)17-6-9(11(12,13)14)18-4-2-15-3-5-18/h7,9,15,17H,2-6H2,1H3
InChIKeyIHAFUUXJJVPYSB-UHFFFAOYSA-N
MW358.41 g/mol
LogP0.57
Rot. Bonds5

About 2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide

2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide (PubChem CID 120778826) has the molecular formula C11H17F3N4O2S2 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
PubChem CID120778826
Molecular FormulaC11H17F3N4O2S2
Molecular Weight358.41 g/mol
Exact Mass358.07
IUPAC Name2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)s1
InChIInChI=1S/C11H17F3N4O2S2/c1-8-16-7-10(21-8)22(19,20)17-6-9(11(12,13)14)18-4-2-15-3-5-18/h7,9,15,17H,2-6H2,1H3
InChIKeyIHAFUUXJJVPYSB-UHFFFAOYSA-N
XLogP0.57
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide (CID 120778826) is 2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide is Cc1ncc(S(=O)(=O)NCC(N2CCNCC2)C(F)(F)F)s1.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is IHAFUUXJJVPYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S2/c1-8-16-7-10(21-8)22(19,20)17-6-9(11(12,13)14)18-4-2-15-3-5-18/h7,9,15,17H,2-6H2,1H3.
What are the key properties of 2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide?
2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 358.41 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 120778826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).