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

C10H11F3N4O2S2 — CID 62147979

IUPAC6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H11F3N4O2S2/c11-10(12,13)5-17(6-1-2-6)21(18,19)8-7(14)15-9-16(8)3-4-20-9/h3-4,6H,1-2,5,14H2
InChIKeyAVAGTDKOKVQGCZ-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.69
Rot. Bonds4

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

6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62147979) has the molecular formula C10H11F3N4O2S2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62147979
Molecular FormulaC10H11F3N4O2S2
Molecular Weight340.35 g/mol
Exact Mass340.03
IUPAC Name6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNc1nc2sccn2c1S(=O)(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H11F3N4O2S2/c11-10(12,13)5-17(6-1-2-6)21(18,19)8-7(14)15-9-16(8)3-4-20-9/h3-4,6H,1-2,5,14H2
InChIKeyAVAGTDKOKVQGCZ-UHFFFAOYSA-N
XLogP1.69
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62147979) is 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Nc1nc2sccn2c1S(=O)(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is AVAGTDKOKVQGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2S2/c11-10(12,13)5-17(6-1-2-6)21(18,19)8-7(14)15-9-16(8)3-4-20-9/h3-4,6H,1-2,5,14H2.
What are the key properties of 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 340.35 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62147979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).