2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one

C19H20ClN5O3S — CID 42803283

IUPAC2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
SMILESCC(Cl)C(=O)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)CC1
InChIInChI=1S/C19H20ClN5O3S/c1-13(20)18(26)23-8-6-22(7-9-23)12-16-17(21-19-24(16)10-11-29-19)14-2-4-15(5-3-14)25(27)28/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyWROHDMRVBZSVTD-UHFFFAOYSA-N
MW433.92 g/mol
LogP3.24
Rot. Bonds5

About 2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one

2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 42803283) has the molecular formula C19H20ClN5O3S and a molecular weight of 433.92 g/mol. Its IUPAC name is 2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
PubChem CID42803283
Molecular FormulaC19H20ClN5O3S
Molecular Weight433.92 g/mol
Exact Mass433.10
IUPAC Name2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
SMILESCC(Cl)C(=O)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)CC1
InChIInChI=1S/C19H20ClN5O3S/c1-13(20)18(26)23-8-6-22(7-9-23)12-16-17(21-19-24(16)10-11-29-19)14-2-4-15(5-3-14)25(27)28/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyWROHDMRVBZSVTD-UHFFFAOYSA-N
XLogP3.24
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one 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

5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazole
CID 42666953
2-methyl-1-[4-[[2-(4-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 42809710
[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42811168
(2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24674451
6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid
CID 45156225
(3S,4S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120646
7-[[4-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60523910
1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-ethylpiperidine-4-carboxamide
CID 86931065
5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 139191662
(3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol
CID 166256198
6-(4-methylphenyl)-5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 132581539
N,N-diethyl-1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 3481631

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one (CID 42803283) is 2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one is CC(Cl)C(=O)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3sccn23)CC1.
What is the InChIKey of 2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is WROHDMRVBZSVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S/c1-13(20)18(26)23-8-6-22(7-9-23)12-16-17(21-19-24(16)10-11-29-19)14-2-4-15(5-3-14)25(27)28/h2-5,10-11,13H,6-9,12H2,1H3.
What are the key properties of 2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one?
2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 433.92 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 42803283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).