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

C9H12F2N4O2S2 — CID 115408553

IUPACN-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCNc1nc2sccn2c1S(=O)(=O)NCC(F)F
InChIInChI=1S/C9H12F2N4O2S2/c1-2-12-7-8(15-3-4-18-9(15)14-7)19(16,17)13-5-6(10)11/h3-4,6,12-13H,2,5H2,1H3
InChIKeyNZRPXMQSDDSCTB-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.37
Rot. Bonds6

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

N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 115408553) has the molecular formula C9H12F2N4O2S2 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID115408553
Molecular FormulaC9H12F2N4O2S2
Molecular Weight310.35 g/mol
Exact Mass310.04
IUPAC NameN-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCNc1nc2sccn2c1S(=O)(=O)NCC(F)F
InChIInChI=1S/C9H12F2N4O2S2/c1-2-12-7-8(15-3-4-18-9(15)14-7)19(16,17)13-5-6(10)11/h3-4,6,12-13H,2,5H2,1H3
InChIKeyNZRPXMQSDDSCTB-UHFFFAOYSA-N
XLogP1.37
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 115408553) is N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCNc1nc2sccn2c1S(=O)(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is NZRPXMQSDDSCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O2S2/c1-2-12-7-8(15-3-4-18-9(15)14-7)19(16,17)13-5-6(10)11/h3-4,6,12-13H,2,5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 310.35 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-(ethylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 115408553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).