1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C19H15FN4O2S — CID 42519441

IUPAC1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCc2onc(-c3ccccc3F)c2C1
InChIInChI=1S/C19H15FN4O2S/c20-15-4-2-1-3-13(15)18-14-11-23(6-5-16(14)26-22-18)17(25)9-12-10-24-7-8-27-19(24)21-12/h1-4,7-8,10H,5-6,9,11H2
InChIKeyZSCDJKPAMHDRBQ-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.32
Rot. Bonds3

About 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 42519441) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID42519441
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(Cc1cn2ccsc2n1)N1CCc2onc(-c3ccccc3F)c2C1
InChIInChI=1S/C19H15FN4O2S/c20-15-4-2-1-3-13(15)18-14-11-23(6-5-16(14)26-22-18)17(25)9-12-10-24-7-8-27-19(24)21-12/h1-4,7-8,10H,5-6,9,11H2
InChIKeyZSCDJKPAMHDRBQ-UHFFFAOYSA-N
XLogP3.32
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone 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

3-[1-[2-(3,6-Dimethylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 44213417
3-(2-fluorophenyl)-5-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 31015966
N-methyl-N-[(3-methyl-5-isoxazolyl)methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42596715
N-[1-(3-isoxazolyl)ethyl]-N-methyl-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 45216300
3-(3,4-difluorophenyl)-5-{[1-(1,3-thiazol-2-yl)-1H-pyrrol-2-yl]methyl}-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 25371523
3-(3-Fluorophenyl)-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)carbonyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 42196706
Sdccgsbi-0117501.P001
CID 42458038
6-(3-fluorophenyl)-N-(3-isoxazolylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42514244
6-(3-fluorophenyl)-N-(3-isoxazolylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42518130
N-[(5-cyclopropylisoxazol-3-yl)methyl]-6-(4-fluorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 56723568
2-(benzo[d]isoxazol-3-yl)-N-((6-(4-fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)methyl)acetamide
CID 71795857
2-(3,5-dimethylisoxazol-4-yl)-N-((6-(4-fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)methyl)acetamide
CID 71795871

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 42519441) is 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is O=C(Cc1cn2ccsc2n1)N1CCc2onc(-c3ccccc3F)c2C1.
What is the InChIKey of 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is ZSCDJKPAMHDRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c20-15-4-2-1-3-13(15)18-14-11-23(6-5-16(14)26-22-18)17(25)9-12-10-24-7-8-27-19(24)21-12/h1-4,7-8,10H,5-6,9,11H2.
What are the key properties of 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 382.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 42519441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).