6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole

C9H8ClN3O2S — CID 76912976

IUPAC6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole
SMILESCCC(=Cc1c(Cl)nc2sccn12)[N+](=O)[O-]
InChIInChI=1S/C9H8ClN3O2S/c1-2-6(13(14)15)5-7-8(10)11-9-12(7)3-4-16-9/h3-5H,2H2,1H3
InChIKeyLHFJJFCXQPJVIT-UHFFFAOYSA-N
MW257.70 g/mol
LogP3.08
Rot. Bonds3

About 6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole

6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 76912976) has the molecular formula C9H8ClN3O2S and a molecular weight of 257.70 g/mol. Its IUPAC name is 6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole
PubChem CID76912976
Molecular FormulaC9H8ClN3O2S
Molecular Weight257.70 g/mol
Exact Mass257.00
IUPAC Name6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole
SMILESCCC(=Cc1c(Cl)nc2sccn12)[N+](=O)[O-]
InChIInChI=1S/C9H8ClN3O2S/c1-2-6(13(14)15)5-7-8(10)11-9-12(7)3-4-16-9/h3-5H,2H2,1H3
InChIKeyLHFJJFCXQPJVIT-UHFFFAOYSA-N
XLogP3.08
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-3-methylbutan-1-ol
CID 79334066
3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal
CID 79330598
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyanoprop-2-enoic acid
CID 43132250
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79339051
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 60630731
(E)-N-[(2R)-butan-2-yl]-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 94187219
3,6-dimethyl-5-[(E)-2-nitrobut-1-enyl]imidazo[2,1-b][1,3]thiazole
CID 55016268
2-[[(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]amino]acetic acid
CID 43354436
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
CID 103946121
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide
CID 8862163
2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butanal
CID 79331317
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 39947749

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole (CID 76912976) is 6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole is CCC(=Cc1c(Cl)nc2sccn12)[N+](=O)[O-].
What is the InChIKey of 6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is LHFJJFCXQPJVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2S/c1-2-6(13(14)15)5-7-8(10)11-9-12(7)3-4-16-9/h3-5H,2H2,1H3.
What are the key properties of 6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole?
6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 257.70 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-nitrobut-1-enyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 76912976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).