6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C10H15ClN4O2S2 — CID 60812798

IUPAC6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H15ClN4O2S2/c1-14(2)5-3-4-12-19(16,17)9-8(11)13-10-15(9)6-7-18-10/h6-7,12H,3-5H2,1-2H3
InChIKeyOXSHZFGHRRDMPG-UHFFFAOYSA-N
MW322.84 g/mol
LogP1.28
Rot. Bonds6

About 6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 60812798) has the molecular formula C10H15ClN4O2S2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID60812798
Molecular FormulaC10H15ClN4O2S2
Molecular Weight322.84 g/mol
Exact Mass322.03
IUPAC Name6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)c1c(Cl)nc2sccn12
InChIInChI=1S/C10H15ClN4O2S2/c1-14(2)5-3-4-12-19(16,17)9-8(11)13-10-15(9)6-7-18-10/h6-7,12H,3-5H2,1-2H3
InChIKeyOXSHZFGHRRDMPG-UHFFFAOYSA-N
XLogP1.28
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62158615
6-chloro-N-[3-(2-methoxyethoxy)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61247733
2-chloro-N-[3-(dimethylamino)propyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 60812797
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 60814143
ethyl 2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]acetate
CID 54921109
6-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63239264
6-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 64531115
6-chloro-N-(2-hydroxy-2-methylbutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 65107340
6-chloro-N-(2-methyl-3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63964111
6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115610829
6-chloro-N-(2-ethoxypropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115650694
6-chloro-N-methoxy-N-methylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 61052679

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 60812798) is 6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CN(C)CCCNS(=O)(=O)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is OXSHZFGHRRDMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2S2/c1-14(2)5-3-4-12-19(16,17)9-8(11)13-10-15(9)6-7-18-10/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 322.84 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(dimethylamino)propyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 60812798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).