tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate

C23H25FN4O2S2 — CID 162433134

IUPACtert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
SMILESCc1cn2cc(-c3nc4sc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)cc(F)c2n1
InChIInChI=1S/C23H25FN4O2S2/c1-13-11-28-12-15(9-16(24)19(28)25-13)20-26-21-18(32-20)10-17(31-21)14-5-7-27(8-6-14)22(29)30-23(2,3)4/h9-12,14H,5-8H2,1-4H3
InChIKeyLDOISRROGWBOMT-UHFFFAOYSA-N
MW472.61 g/mol
LogP6.23
Rot. Bonds2

About tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate (PubChem CID 162433134) has the molecular formula C23H25FN4O2S2 and a molecular weight of 472.61 g/mol. Its IUPAC name is tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
PubChem CID162433134
Molecular FormulaC23H25FN4O2S2
Molecular Weight472.61 g/mol
Exact Mass472.14
IUPAC Nametert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
SMILESCc1cn2cc(-c3nc4sc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)cc(F)c2n1
InChIInChI=1S/C23H25FN4O2S2/c1-13-11-28-12-15(9-16(24)19(28)25-13)20-26-21-18(32-20)10-17(31-21)14-5-7-27(8-6-14)22(29)30-23(2,3)4/h9-12,14H,5-8H2,1-4H3
InChIKeyLDOISRROGWBOMT-UHFFFAOYSA-N
XLogP6.23
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[2-(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
CID 162433314
tert-butyl 4-[2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
CID 162432935
tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-methyl-4-oxo-3H-quinazolin-2-yl]piperidine-1-carboxylate
CID 153382105
tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]piperidine-1-carboxylate
CID 168725199
tert-butyl 4-[6-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-1-oxophthalazin-2-yl]piperidine-1-carboxylate
CID 156888877
tert-butyl 4-[5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-fluoroindazol-2-yl]piperidine-1-carboxylate
CID 168902369
tert-butyl 4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)thieno[2,3-d][1,3]thiazol-2-yl]piperidine-1-carboxylate
CID 169082139
tert-butyl 4-[2-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178050642
tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]piperazine-1-carboxylate;ethane
CID 172601447
tert-butyl 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxylate
CID 153383485
tert-butyl 4-[8-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-2-yl]piperidine-1-carboxylate
CID 174145802
tert-butyl 4-[2-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178050783

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate (CID 162433134) is tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate is Cc1cn2cc(-c3nc4sc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4s3)cc(F)c2n1.
What is the InChIKey of tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate?
The InChIKey is LDOISRROGWBOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2S2/c1-13-11-28-12-15(9-16(24)19(28)25-13)20-26-21-18(32-20)10-17(31-21)14-5-7-27(8-6-14)22(29)30-23(2,3)4/h9-12,14H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate has a molecular weight of 472.61 g/mol, XLogP of 6.23, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 162433134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).