6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C12H17ClN4O3S2 — CID 51118284

IUPAC6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1c(Cl)nc2sccn12
InChIInChI=1S/C12H17ClN4O3S2/c13-10-11(17-6-9-21-12(17)15-10)22(18,19)14-2-1-3-16-4-7-20-8-5-16/h6,9,14H,1-5,7-8H2
InChIKeyRUTUPYCBGQZBBW-UHFFFAOYSA-N
MW364.88 g/mol
LogP1.05
Rot. Bonds6

About 6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 51118284) has the molecular formula C12H17ClN4O3S2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID51118284
Molecular FormulaC12H17ClN4O3S2
Molecular Weight364.88 g/mol
Exact Mass364.04
IUPAC Name6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESO=S(=O)(NCCCN1CCOCC1)c1c(Cl)nc2sccn12
InChIInChI=1S/C12H17ClN4O3S2/c13-10-11(17-6-9-21-12(17)15-10)22(18,19)14-2-1-3-16-4-7-20-8-5-16/h6,9,14H,1-5,7-8H2
InChIKeyRUTUPYCBGQZBBW-UHFFFAOYSA-N
XLogP1.05
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 51118284) is 6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is O=S(=O)(NCCCN1CCOCC1)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is RUTUPYCBGQZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O3S2/c13-10-11(17-6-9-21-12(17)15-10)22(18,19)14-2-1-3-16-4-7-20-8-5-16/h6,9,14H,1-5,7-8H2.
What are the key properties of 6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 364.88 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-morpholin-4-ylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 51118284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).