N-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

C19H12ClFN4O3S — CID 18565292

IUPACN-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12
InChIInChI=1S/C19H12ClFN4O3S/c1-10-17(18(26)22-12-5-6-15(21)14(20)8-12)29-19-23-16(9-24(10)19)11-3-2-4-13(7-11)25(27)28/h2-9H,1H3,(H,22,26)
InChIKeyPALHWAAONKQEIY-UHFFFAOYSA-N
MW430.85 g/mol
LogP5.32
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

N-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 18565292) has the molecular formula C19H12ClFN4O3S and a molecular weight of 430.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID18565292
Molecular FormulaC19H12ClFN4O3S
Molecular Weight430.85 g/mol
Exact Mass430.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12
InChIInChI=1S/C19H12ClFN4O3S/c1-10-17(18(26)22-12-5-6-15(21)14(20)8-12)29-19-23-16(9-24(10)19)11-3-2-4-13(7-11)25(27)28/h2-9H,1H3,(H,22,26)
InChIKeyPALHWAAONKQEIY-UHFFFAOYSA-N
XLogP5.32
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.85
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3-chlorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 18565291
N-(3-acetamidophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 27461405
N-[4-(dimethylamino)phenyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 43953558
N-(4-ethoxyphenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348992
N-(4-butylphenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41349014
N-benzhydryl-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348991
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 7080141
3-methyl-6-(3-nitrophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 43953564
N-(3-fluoro-4-methylphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41348922
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 41349039
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 122262586
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-2-yl]methanone
CID 27461359

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 18565292) is N-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is PALHWAAONKQEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4O3S/c1-10-17(18(26)22-12-5-6-15(21)14(20)8-12)29-19-23-16(9-24(10)19)11-3-2-4-13(7-11)25(27)28/h2-9H,1H3,(H,22,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 430.85 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 18565292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).