2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C20H23FN4O2S — CID 30675303

IUPAC2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCCCN1CCOCC1
InChIInChI=1S/C20H23FN4O2S/c21-16-4-2-15(3-5-16)18-13-25-17(14-28-20(25)23-18)12-19(26)22-6-1-7-24-8-10-27-11-9-24/h2-5,13-14H,1,6-12H2,(H,22,26)
InChIKeyMWRVRSWKFOFTLZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.58
Rot. Bonds7

About 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 30675303) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID30675303
Molecular FormulaC20H23FN4O2S
Molecular Weight402.50 g/mol
Exact Mass402.15
IUPAC Name2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCCCN1CCOCC1
InChIInChI=1S/C20H23FN4O2S/c21-16-4-2-15(3-5-16)18-13-25-17(14-28-20(25)23-18)12-19(26)22-6-1-7-24-8-10-27-11-9-24/h2-5,13-14H,1,6-12H2,(H,22,26)
InChIKeyMWRVRSWKFOFTLZ-UHFFFAOYSA-N
XLogP2.58
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Srt-2104
CID 25108829
N-[3-(5-{2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}imidazo[2,1-B][1,3]thiazol-6-Yl)phenyl]-2-Phenylacetamide
CID 46886319
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
3-(difluoromethylsulfanyl)-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 25233238
N-(3-(5-(2-(3-morpholinophenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2-phenylacetamide
CID 46886323
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
CID 852132
4-fluoro-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2999553
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pentanamide
CID 3236945
6-(4-fluorophenyl)-3-methyl-N-(pyridin-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3237288
6-(4-fluorophenyl)-3-methyl-N-(3-morpholinopropyl)imidazo[2,1-b]thiazole-2-carboxamide
CID 3237977
Methyl 1-[(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)carbonyl]piperidine-4-carboxylate
CID 3239381

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 30675303) is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide is O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCCCN1CCOCC1.
What is the InChIKey of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is MWRVRSWKFOFTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2S/c21-16-4-2-15(3-5-16)18-13-25-17(14-28-20(25)23-18)12-19(26)22-6-1-7-24-8-10-27-11-9-24/h2-5,13-14H,1,6-12H2,(H,22,26).
What are the key properties of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 402.50 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 30675303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).