N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

C12H21N5O2S2 — CID 63837318

IUPACN-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1c(NN)nc2sccn12
InChIInChI=1S/C12H21N5O2S2/c1-4-9(5-2)8(3)16-21(18,19)11-10(15-13)14-12-17(11)6-7-20-12/h6-9,15-16H,4-5,13H2,1-3H3
InChIKeyBHVXQJGPYJXCKZ-UHFFFAOYSA-N
MW331.47 g/mol
LogP1.78
Rot. Bonds7

About N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 63837318) has the molecular formula C12H21N5O2S2 and a molecular weight of 331.47 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID63837318
Molecular FormulaC12H21N5O2S2
Molecular Weight331.47 g/mol
Exact Mass331.11
IUPAC NameN-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCC(CC)C(C)NS(=O)(=O)c1c(NN)nc2sccn12
InChIInChI=1S/C12H21N5O2S2/c1-4-9(5-2)8(3)16-21(18,19)11-10(15-13)14-12-17(11)6-7-20-12/h6-9,15-16H,4-5,13H2,1-3H3
InChIKeyBHVXQJGPYJXCKZ-UHFFFAOYSA-N
XLogP1.78
TPSA101.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 63837318) is N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCC(CC)C(C)NS(=O)(=O)c1c(NN)nc2sccn12.
What is the InChIKey of N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is BHVXQJGPYJXCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S2/c1-4-9(5-2)8(3)16-21(18,19)11-10(15-13)14-12-17(11)6-7-20-12/h6-9,15-16H,4-5,13H2,1-3H3.
What are the key properties of N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 331.47 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-6-hydrazinylimidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 63837318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).