4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide

C18H18FN3O2S — CID 138997352

IUPAC4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C18H18FN3O2S/c19-14-3-1-2-13(10-14)18(4-7-24-8-5-18)16(23)20-11-15-12-22-6-9-25-17(22)21-15/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,20,23)
InChIKeyPHURSLLRPLUDSI-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.90
Rot. Bonds4

About 4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide

4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide (PubChem CID 138997352) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide
PubChem CID138997352
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C18H18FN3O2S/c19-14-3-1-2-13(10-14)18(4-7-24-8-5-18)16(23)20-11-15-12-22-6-9-25-17(22)21-15/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,20,23)
InChIKeyPHURSLLRPLUDSI-UHFFFAOYSA-N
XLogP2.90
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-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

4-(3-fluorophenyl)-N-[[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]methyl]oxane-4-carboxamide
CID 92610503
4-(3-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]oxane-4-carboxamide
CID 75417123
4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
CID 46977998
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 55531398
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 46977992
4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide
CID 92612290
N-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110862757
4-(3-fluorophenyl)-N'-(2-methylbutanoyl)oxane-4-carbohydrazide
CID 56807132
4-(3-fluorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxane-4-carboxamide
CID 86901785
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 3887000
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17439083
1-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)cyclobutane-1-carboxamide
CID 86920088

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide (CID 138997352) is 4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide is O=C(NCc1cn2ccsc2n1)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide?
The InChIKey is PHURSLLRPLUDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c19-14-3-1-2-13(10-14)18(4-7-24-8-5-18)16(23)20-11-15-12-22-6-9-25-17(22)21-15/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,20,23).
What are the key properties of 4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide?
4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 138997352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).