6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C15H12ClN3O3S — CID 50878439

IUPAC6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCCc1cn2c(C=O)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1
InChIInChI=1S/C15H12ClN3O3S/c1-2-3-10-7-18-13(8-20)14(17-15(18)23-10)9-4-5-11(16)12(6-9)19(21)22/h4-8H,2-3H2,1H3
InChIKeyPYDYWHJXCGRFHW-UHFFFAOYSA-N
MW349.80 g/mol
LogP4.39
Rot. Bonds5

About 6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 50878439) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is 6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID50878439
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC Name6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCCc1cn2c(C=O)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1
InChIInChI=1S/C15H12ClN3O3S/c1-2-3-10-7-18-13(8-20)14(17-15(18)23-10)9-4-5-11(16)12(6-9)19(21)22/h4-8H,2-3H2,1H3
InChIKeyPYDYWHJXCGRFHW-UHFFFAOYSA-N
XLogP4.39
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde 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

ethyl 2-[6-(4-chloro-3-methylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 5190515
(E)-3-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 51353160
2-chloro-6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 10709091
5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole
CID 23010472
(E)-1-(8a-methyl-4aH-naphthalen-2-yl)-3-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
CID 90291890
ethyl 2-amino-4-(4-chloro-3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 22282457
(E)-3-[6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-naphthalen-2-ylprop-2-en-1-one
CID 51352714
ethyl 2-[6-(4-tert-butylphenyl)-5-formylimidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3633850
1-(4-chloro-3-nitrophenyl)-5-propyltriazole-4-carbaldehyde
CID 82197757
[2-(4-chloro-3-nitrophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 117099046
6-(3,4-dimethylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 39198017
(E)-1-(4-chloro-3-nitrophenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 7516233

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 50878439) is 6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCCc1cn2c(C=O)c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2s1.
What is the InChIKey of 6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is PYDYWHJXCGRFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c1-2-3-10-7-18-13(8-20)14(17-15(18)23-10)9-4-5-11(16)12(6-9)19(21)22/h4-8H,2-3H2,1H3.
What are the key properties of 6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 349.80 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 50878439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).