N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide

C21H20FN3OS — CID 27542799

IUPACN-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCc2c(-c3ccc(F)cc3)nc3n2CCS3)c1C
InChIInChI=1S/C21H20FN3OS/c1-13-4-3-5-17(14(13)2)20(26)23-12-18-19(15-6-8-16(22)9-7-15)24-21-25(18)10-11-27-21/h3-9H,10-12H2,1-2H3,(H,23,26)
InChIKeyKPHYAHZIPRSZIF-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.34
Rot. Bonds4

About N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide

N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide (PubChem CID 27542799) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide
PubChem CID27542799
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC NameN-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCc2c(-c3ccc(F)cc3)nc3n2CCS3)c1C
InChIInChI=1S/C21H20FN3OS/c1-13-4-3-5-17(14(13)2)20(26)23-12-18-19(15-6-8-16(22)9-7-15)24-21-25(18)10-11-27-21/h3-9H,10-12H2,1-2H3,(H,23,26)
InChIKeyKPHYAHZIPRSZIF-UHFFFAOYSA-N
XLogP4.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide with MolForge

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Related Compounds

2-chloro-N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]benzamide
CID 27555718
N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide
CID 27554872
N-[[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]acetamide
CID 27509093
N-[[6-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]pyridine-3-carboxamide
CID 27554870
N-[(4-fluorophenyl)methyl]-6-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-7-carboxamide
CID 54720034
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylbenzamide
CID 30878247
N-[4-[5-(aminomethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
CID 82367581
N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide
CID 37362583
2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182013
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dimethylbenzamide
CID 50755147
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
ethane;N,2,3-trimethylbenzamide
CID 178108869

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide (CID 27542799) is N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NCc2c(-c3ccc(F)cc3)nc3n2CCS3)c1C.
What is the InChIKey of N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide?
The InChIKey is KPHYAHZIPRSZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3OS/c1-13-4-3-5-17(14(13)2)20(26)23-12-18-19(15-6-8-16(22)9-7-15)24-21-25(18)10-11-27-21/h3-9H,10-12H2,1-2H3,(H,23,26).
What are the key properties of N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide?
N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide has a molecular weight of 381.48 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 27542799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).