N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b]thiazole-2-carboxamide

C21H18FN3OS — CID 16029634

IUPACN-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)F)C(=O)N(C)CC4=CC=CC=C4
InChIInChI=1S/C21H18FN3OS/c1-14-19(20(26)24(2)12-15-6-4-3-5-7-15)27-21-23-18(13-25(14)21)16-8-10-17(22)11-9-16/h3-11,13H,12H2,1-2H3
InChIKeyOKPKKIDWNXPJDF-UHFFFAOYSA-N
MW379.50 g/mol
LogP5.30
Rot. Bonds4

About N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b]thiazole-2-carboxamide

N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b]thiazole-2-carboxamide (PubChem CID 16029634) has the molecular formula C21H18FN3OS and a molecular weight of 379.50 g/mol. Its IUPAC name is N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b]thiazole-2-carboxamide
PubChem CID16029634
Molecular FormulaC21H18FN3OS
Molecular Weight379.50 g/mol
Exact Mass379.12
IUPAC NameN-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)F)C(=O)N(C)CC4=CC=CC=C4
InChIInChI=1S/C21H18FN3OS/c1-14-19(20(26)24(2)12-15-6-4-3-5-7-15)27-21-23-18(13-25(14)21)16-8-10-17(22)11-9-16/h3-11,13H,12H2,1-2H3
InChIKeyOKPKKIDWNXPJDF-UHFFFAOYSA-N
XLogP5.30
TPSA65.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity522

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Phenylimidazo(2,1-b)(1,3)thiazole-5-carbaldehyde
CID 329948
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018572
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
CID 786409
7-(2-oxo-2-phenylethyl)-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 2879421
N-(4-(diethylamino)phenyl)-3-methyl-6-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029593
6-(4-fluorophenyl)-N,3-dimethyl-N-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029632
N-benzyl-2-(4-benzyl-1H-1,2,3-triazol-1-yl)-4-methylthiazole-5-carboxamide
CID 24957857
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 25094875
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095149
2-(3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481196
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)thiazole-5-carboxamide
CID 59481229
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 59481280

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b]thiazole-2-carboxamide?
The IUPAC name of N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b]thiazole-2-carboxamide (CID 16029634) is N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b]thiazole-2-carboxamide?
The canonical SMILES for N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b]thiazole-2-carboxamide is CC1=C(SC2=NC(=CN12)C3=CC=C(C=C3)F)C(=O)N(C)CC4=CC=CC=C4.
What is the InChIKey of N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b]thiazole-2-carboxamide?
The InChIKey is OKPKKIDWNXPJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3OS/c1-14-19(20(26)24(2)12-15-6-4-3-5-7-15)27-21-23-18(13-25(14)21)16-8-10-17(22)11-9-16/h3-11,13H,12H2,1-2H3.
What are the key properties of N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b]thiazole-2-carboxamide?
N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b]thiazole-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b]thiazole-2-carboxamide is sourced from PubChem (CID 16029634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).