4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide

C24H21F3N4O2S — CID 43055397

IUPAC4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)Cc1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C24H21F3N4O2S/c1-30(12-16-7-9-18(10-8-16)22(33)28-15-24(25,26)27)21(32)11-19-14-34-23-29-20(13-31(19)23)17-5-3-2-4-6-17/h2-10,13-14H,11-12,15H2,1H3,(H,28,33)
InChIKeyRQKIZMJWVWQSRN-UHFFFAOYSA-N
MW486.52 g/mol
LogP4.56
Rot. Bonds7

About 4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 43055397) has the molecular formula C24H21F3N4O2S and a molecular weight of 486.52 g/mol. Its IUPAC name is 4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID43055397
Molecular FormulaC24H21F3N4O2S
Molecular Weight486.52 g/mol
Exact Mass486.13
IUPAC Name4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)Cc1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C24H21F3N4O2S/c1-30(12-16-7-9-18(10-8-16)22(33)28-15-24(25,26)27)21(32)11-19-14-34-23-29-20(13-31(19)23)17-5-3-2-4-6-17/h2-10,13-14H,11-12,15H2,1H3,(H,28,33)
InChIKeyRQKIZMJWVWQSRN-UHFFFAOYSA-N
XLogP4.56
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]benzoate
CID 25341521
4-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803389
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]ethyl]benzamide
CID 38231605
2-phenyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72935701
N-phenyl-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-prop-2-enylacetamide
CID 52564427
N-[[4-(methoxymethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 55615165
N-[2-[[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]phenyl]benzamide
CID 55811907
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 17485366
N-[2-(diethylamino)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522369
N-benzyl-N-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)ethyl]propanamide
CID 42788719
N-[(3-methylphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 52566392
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 7522419

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 43055397) is 4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide is CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)Cc1csc2nc(-c3ccccc3)cn12.
What is the InChIKey of 4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RQKIZMJWVWQSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2S/c1-30(12-16-7-9-18(10-8-16)22(33)28-15-24(25,26)27)21(32)11-19-14-34-23-29-20(13-31(19)23)17-5-3-2-4-6-17/h2-10,13-14H,11-12,15H2,1H3,(H,28,33).
What are the key properties of 4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 486.52 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 43055397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).