[1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol

C11H17N5O3S2 — CID 102782000

IUPAC[1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)c2c(NN)nc3sccn23)C1CO
InChIInChI=1S/C11H17N5O3S2/c1-7-2-3-16(8(7)6-17)21(18,19)10-9(14-12)13-11-15(10)4-5-20-11/h4-5,7-8,14,17H,2-3,6,12H2,1H3
InChIKeyVAZYVZNETMAFPM-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.07
Rot. Bonds4

About [1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol

[1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102782000) has the molecular formula C11H17N5O3S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is [1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
PubChem CID102782000
Molecular FormulaC11H17N5O3S2
Molecular Weight331.42 g/mol
Exact Mass331.08
IUPAC Name[1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(S(=O)(=O)c2c(NN)nc3sccn23)C1CO
InChIInChI=1S/C11H17N5O3S2/c1-7-2-3-16(8(7)6-17)21(18,19)10-9(14-12)13-11-15(10)4-5-20-11/h4-5,7-8,14,17H,2-3,6,12H2,1H3
InChIKeyVAZYVZNETMAFPM-UHFFFAOYSA-N
XLogP0.07
TPSA112.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.07
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 [1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol (CID 102782000) is [1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol is CC1CCN(S(=O)(=O)c2c(NN)nc3sccn23)C1CO.
What is the InChIKey of [1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is VAZYVZNETMAFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S2/c1-7-2-3-16(8(7)6-17)21(18,19)10-9(14-12)13-11-15(10)4-5-20-11/h4-5,7-8,14,17H,2-3,6,12H2,1H3.
What are the key properties of [1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol?
[1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 331.42 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-hydrazinylimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102782000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).