2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide

C20H12ClN5O3S — CID 121038487

IUPAC2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C20H12ClN5O3S/c21-14-3-1-12(2-4-14)18-10-25-16(11-30-20(25)24-18)8-19(27)23-17-6-5-15(26(28)29)7-13(17)9-22/h1-7,10-11H,8H2,(H,23,27)
InChIKeyPPMZBTWPDXKDHY-UHFFFAOYSA-N
MW437.87 g/mol
LogP4.68
Rot. Bonds5

About 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide (PubChem CID 121038487) has the molecular formula C20H12ClN5O3S and a molecular weight of 437.87 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide
PubChem CID121038487
Molecular FormulaC20H12ClN5O3S
Molecular Weight437.87 g/mol
Exact Mass437.03
IUPAC Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide
SMILESN#Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C20H12ClN5O3S/c21-14-3-1-12(2-4-14)18-10-25-16(11-30-20(25)24-18)8-19(27)23-17-6-5-15(26(28)29)7-13(17)9-22/h1-7,10-11H,8H2,(H,23,27)
InChIKeyPPMZBTWPDXKDHY-UHFFFAOYSA-N
XLogP4.68
TPSA113.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.87
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-5-nitrophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038785
N-(5-cyano-2-methyl-4-nitrophenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 154758998
N-(2-cyanophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038239
N-(2,4-dichlorophenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038733
4-[[2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetyl]amino]benzamide
CID 7522346
2-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetohydrazide
CID 10041509
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-pyridin-3-ylacetamide
CID 121038458
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-methylpropyl)acetamide
CID 7522219
N-(3,5-dichlorophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044539
N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038539
N-(5-chloro-2-methoxyphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522499
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 55727246

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide (CID 121038487) is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide is N#Cc1cc([N+](=O)[O-])ccc1NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide?
The InChIKey is PPMZBTWPDXKDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN5O3S/c21-14-3-1-12(2-4-14)18-10-25-16(11-30-20(25)24-18)8-19(27)23-17-6-5-15(26(28)29)7-13(17)9-22/h1-7,10-11H,8H2,(H,23,27).
What are the key properties of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide?
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide has a molecular weight of 437.87 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(2-cyano-4-nitrophenyl)acetamide is sourced from PubChem (CID 121038487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).