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

C25H29N5O3S — CID 178050551

IUPACtert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
SMILESCC(=O)c1cc(-c2cn3cc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C25H29N5O3S/c1-15(31)19-11-17(10-18-12-28(5)27-22(18)19)21-14-30-13-20(26-23(30)34-21)16-6-8-29(9-7-16)24(32)33-25(2,3)4/h10-14,16H,6-9H2,1-5H3
InChIKeyWQYXNDZNKLZBJQ-UHFFFAOYSA-N
MW479.61 g/mol
LogP5.27
Rot. Bonds3

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

tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate (PubChem CID 178050551) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
PubChem CID178050551
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Nametert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
SMILESCC(=O)c1cc(-c2cn3cc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C25H29N5O3S/c1-15(31)19-11-17(10-18-12-28(5)27-22(18)19)21-14-30-13-20(26-23(30)34-21)16-6-8-29(9-7-16)24(32)33-25(2,3)4/h10-14,16H,6-9H2,1-5H3
InChIKeyWQYXNDZNKLZBJQ-UHFFFAOYSA-N
XLogP5.27
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.61
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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-(6-cyano-2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178050808
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-[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 5-[2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]azocane-1-carboxylate
CID 178051128
6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050596
2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050953
tert-butyl 4-(2-iodo-1-methylimidazol-4-yl)piperidine-1-carboxylate
CID 129139631
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050946

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate (CID 178050551) is tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate is CC(=O)c1cc(-c2cn3cc(C4CCN(C(=O)OC(C)(C)C)CC4)nc3s2)cc2cn(C)nc12.
What is the InChIKey of tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate?
The InChIKey is WQYXNDZNKLZBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-15(31)19-11-17(10-18-12-28(5)27-22(18)19)21-14-30-13-20(26-23(30)34-21)16-6-8-29(9-7-16)24(32)33-25(2,3)4/h10-14,16H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate has a molecular weight of 479.61 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(7-acetyl-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 178050551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).