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

C9H13F2N5O3S2 — CID 107480742

IUPACN-(2,2-difluoroethyl)-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H13F2N5O3S2/c10-6(11)5-15(1-3-17)21(18,19)8-7(14-12)13-9-16(8)2-4-20-9/h2,4,6,14,17H,1,3,5,12H2
InChIKeyLWFBBVJYYXKMBT-UHFFFAOYSA-N
MW341.37 g/mol
LogP-0.07
Rot. Bonds7

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

N-(2,2-difluoroethyl)-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 107480742) has the molecular formula C9H13F2N5O3S2 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID107480742
Molecular FormulaC9H13F2N5O3S2
Molecular Weight341.37 g/mol
Exact Mass341.04
IUPAC NameN-(2,2-difluoroethyl)-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESNNc1nc2sccn2c1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H13F2N5O3S2/c10-6(11)5-15(1-3-17)21(18,19)8-7(14-12)13-9-16(8)2-4-20-9/h2,4,6,14,17H,1,3,5,12H2
InChIKeyLWFBBVJYYXKMBT-UHFFFAOYSA-N
XLogP-0.07
TPSA112.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 107480742) is N-(2,2-difluoroethyl)-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is NNc1nc2sccn2c1S(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is LWFBBVJYYXKMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N5O3S2/c10-6(11)5-15(1-3-17)21(18,19)8-7(14-12)13-9-16(8)2-4-20-9/h2,4,6,14,17H,1,3,5,12H2.
What are the key properties of N-(2,2-difluoroethyl)-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(2,2-difluoroethyl)-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 341.37 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 107480742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).