N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C21H16FN5O2S — CID 41373345

IUPACN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)Nc3c(-c4ccc(F)cc4)nc4sccn34)cc12
InChIInChI=1S/C21H16FN5O2S/c1-11(2)16-15-9-13(10-23-20(15)29-26-16)19(28)25-18-17(12-3-5-14(22)6-4-12)24-21-27(18)7-8-30-21/h3-11H,1-2H3,(H,25,28)
InChIKeyMEEAYTUGHJIIJM-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.11
Rot. Bonds4

About N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 41373345) has the molecular formula C21H16FN5O2S and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID41373345
Molecular FormulaC21H16FN5O2S
Molecular Weight421.46 g/mol
Exact Mass421.10
IUPAC NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)c1noc2ncc(C(=O)Nc3c(-c4ccc(F)cc4)nc4sccn34)cc12
InChIInChI=1S/C21H16FN5O2S/c1-11(2)16-15-9-13(10-23-20(15)29-26-16)19(28)25-18-17(12-3-5-14(22)6-4-12)24-21-27(18)7-8-30-21/h3-11H,1-2H3,(H,25,28)
InChIKeyMEEAYTUGHJIIJM-UHFFFAOYSA-N
XLogP5.11
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylpropanamide
CID 17415628
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide
CID 46511311
3-ethyl-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 51199261
4,5-dichloro-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-methylpyrrole-2-carboxamide
CID 55668837
N-(3-methylbutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 42931383
N-[(2R)-3-methylbutan-2-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 30137551
4-(4-bromopyrazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]benzamide
CID 55668838
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46647075
3-propan-2-yl-N-pyridazin-3-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166210280
N-[1-(3-fluorophenyl)ethyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 166191150
N-(2,4-dimorpholin-4-ylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25333039
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 51603172

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 41373345) is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CC(C)c1noc2ncc(C(=O)Nc3c(-c4ccc(F)cc4)nc4sccn34)cc12.
What is the InChIKey of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is MEEAYTUGHJIIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2S/c1-11(2)16-15-9-13(10-23-20(15)29-26-16)19(28)25-18-17(12-3-5-14(22)6-4-12)24-21-27(18)7-8-30-21/h3-11H,1-2H3,(H,25,28).
What are the key properties of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 41373345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).