6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C10H13F3N4O2S2 — CID 62149762

IUPAC6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCNc1nc2sccn2c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H13F3N4O2S2/c1-2-3-14-7-8(17-4-5-20-9(17)16-7)21(18,19)15-6-10(11,12)13/h4-5,14-15H,2-3,6H2,1H3
InChIKeyFOFRAEPTJLBNLP-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.06
Rot. Bonds6

About 6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62149762) has the molecular formula C10H13F3N4O2S2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62149762
Molecular FormulaC10H13F3N4O2S2
Molecular Weight342.37 g/mol
Exact Mass342.04
IUPAC Name6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCNc1nc2sccn2c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H13F3N4O2S2/c1-2-3-14-7-8(17-4-5-20-9(17)16-7)21(18,19)15-6-10(11,12)13/h4-5,14-15H,2-3,6H2,1H3
InChIKeyFOFRAEPTJLBNLP-UHFFFAOYSA-N
XLogP2.06
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62149762) is 6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCCNc1nc2sccn2c1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is FOFRAEPTJLBNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S2/c1-2-3-14-7-8(17-4-5-20-9(17)16-7)21(18,19)15-6-10(11,12)13/h4-5,14-15H,2-3,6H2,1H3.
What are the key properties of 6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 342.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(propylamino)-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62149762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).