6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

C17H18FN5OS — CID 42270471

IUPAC6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN1CCN(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CC1
InChIInChI=1S/C17H18FN5OS/c1-21-6-8-22(9-7-21)20-16(24)15-11-25-17-19-14(10-23(15)17)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,20,24)
InChIKeyWJJBFGKJKQIEFD-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.09
Rot. Bonds3

About 6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42270471) has the molecular formula C17H18FN5OS and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42270471
Molecular FormulaC17H18FN5OS
Molecular Weight359.43 g/mol
Exact Mass359.12
IUPAC Name6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN1CCN(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CC1
InChIInChI=1S/C17H18FN5OS/c1-21-6-8-22(9-7-21)20-16(24)15-11-25-17-19-14(10-23(15)17)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,20,24)
InChIKeyWJJBFGKJKQIEFD-UHFFFAOYSA-N
XLogP2.09
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide 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-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-methylpiperazin-1-yl)acetamide
CID 40509494
N-(4-fluorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271703
N-(4-bromophenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270425
N-(3-ethoxypropyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270327
6-(4-fluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56718509
[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 42269953
N-(3-chloro-2-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270429
methyl (2S)-2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]-3-phenylpropanoate
CID 42457098
6-(4-fluorophenyl)-N-(2-oxopiperidin-3-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56701969
dimethyl 2-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 42270390
6-(4-fluorophenyl)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42287930
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 42271654

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42270471) is 6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is CN1CCN(NC(=O)c2csc3nc(-c4ccc(F)cc4)cn23)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is WJJBFGKJKQIEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5OS/c1-21-6-8-22(9-7-21)20-16(24)15-11-25-17-19-14(10-23(15)17)12-2-4-13(18)5-3-12/h2-5,10-11H,6-9H2,1H3,(H,20,24).
What are the key properties of 6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42270471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).