tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate

C25H28N6O2S — CID 178050808

IUPACtert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
SMILESCc1c(C#N)c(-c2cn3cc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C25H28N6O2S/c1-15-19(11-26)18(10-17-12-29(5)28-22(15)17)21-14-31-13-20(27-23(31)34-21)16-6-8-30(9-7-16)24(32)33-25(2,3)4/h10,12-14,16H,6-9H2,1-5H3
InChIKeySMDOEIBCQWOWOH-UHFFFAOYSA-N
MW476.61 g/mol
LogP5.24
Rot. Bonds2

About tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate (PubChem CID 178050808) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
PubChem CID178050808
Molecular FormulaC25H28N6O2S
Molecular Weight476.61 g/mol
Exact Mass476.20
IUPAC Nametert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
SMILESCc1c(C#N)c(-c2cn3cc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C25H28N6O2S/c1-15-19(11-26)18(10-17-12-29(5)28-22(15)17)21-14-31-13-20(27-23(31)34-21)16-6-8-30(9-7-16)24(32)33-25(2,3)4/h10,12-14,16H,6-9H2,1-5H3
InChIKeySMDOEIBCQWOWOH-UHFFFAOYSA-N
XLogP5.24
TPSA88.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.61
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2,7-dimethyl-5-(6-piperidin-4-ylimidazo[2,1-b][1,3]thiazol-2-yl)indazole-6-carbonitrile
CID 178050698
tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178050551
tert-butyl 4-[2-(7-ethyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178051074
tert-butyl 4-[2-[2-methyl-7-(methylamino)indazol-5-yl]imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178051083
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
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 (2S,6R)-4-[2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,6-dimethylpiperidine-1-carboxylate
CID 178050612
tert-butyl 4-[5-(6-hydroxy-2,7-dimethylindazol-5-yl)triazolo[4,5-b]pyridin-2-yl]piperidine-1-carboxylate
CID 168902295
tert-butyl 5-[2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]azocane-1-carboxylate
CID 178051128
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate (CID 178050808) is tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate is Cc1c(C#N)c(-c2cn3cc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3s2)cc2cn(C)nc12.
What is the InChIKey of tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate?
The InChIKey is SMDOEIBCQWOWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-15-19(11-26)18(10-17-12-29(5)28-22(15)17)21-14-31-13-20(27-23(31)34-21)16-6-8-30(9-7-16)24(32)33-25(2,3)4/h10,12-14,16H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate has a molecular weight of 476.61 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 178050808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).