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

C11H19N5O3S2 — CID 61447495

IUPACN-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1c(NN)nc2sccn12
InChIInChI=1S/C11H19N5O3S2/c1-2-3-4-15(5-7-17)21(18,19)10-9(14-12)13-11-16(10)6-8-20-11/h6,8,14,17H,2-5,7,12H2,1H3
InChIKeyFBWOIDFYFRRUGP-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.46
Rot. Bonds8

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

N-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 61447495) has the molecular formula C11H19N5O3S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID61447495
Molecular FormulaC11H19N5O3S2
Molecular Weight333.44 g/mol
Exact Mass333.09
IUPAC NameN-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1c(NN)nc2sccn12
InChIInChI=1S/C11H19N5O3S2/c1-2-3-4-15(5-7-17)21(18,19)10-9(14-12)13-11-16(10)6-8-20-11/h6,8,14,17H,2-5,7,12H2,1H3
InChIKeyFBWOIDFYFRRUGP-UHFFFAOYSA-N
XLogP0.46
TPSA112.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.46
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-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 61447495) is N-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCCCN(CCO)S(=O)(=O)c1c(NN)nc2sccn12.
What is the InChIKey of N-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is FBWOIDFYFRRUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S2/c1-2-3-4-15(5-7-17)21(18,19)10-9(14-12)13-11-16(10)6-8-20-11/h6,8,14,17H,2-5,7,12H2,1H3.
What are the key properties of N-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 333.44 g/mol, XLogP of 0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-hydrazinyl-N-(2-hydroxyethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 61447495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).