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

C26H33N5O3S — CID 178050612

IUPACtert-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
SMILESCOc1cc(-c2cn3cc(C4C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C26H33N5O3S/c1-15-8-17(9-16(2)31(15)25(32)34-26(3,4)5)20-13-30-14-22(35-24(30)27-20)18-10-19-12-29(6)28-23(19)21(11-18)33-7/h10-17H,8-9H2,1-7H3/t15-,16+,17?
InChIKeyYKBSETFOTDKVFM-SJPCQFCGSA-N
MW495.65 g/mol
LogP5.85
Rot. Bonds3

About 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

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 (PubChem CID 178050612) has the molecular formula C26H33N5O3S and a molecular weight of 495.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID178050612
Molecular FormulaC26H33N5O3S
Molecular Weight495.65 g/mol
Exact Mass495.23
IUPAC Nametert-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
SMILESCOc1cc(-c2cn3cc(C4C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C4)nc3s2)cc2cn(C)nc12
InChIInChI=1S/C26H33N5O3S/c1-15-8-17(9-16(2)31(15)25(32)34-26(3,4)5)20-13-30-14-22(35-24(30)27-20)18-10-19-12-29(6)28-23(19)21(11-18)33-7/h10-17H,8-9H2,1-7H3/t15-,16+,17?
InChIKeyYKBSETFOTDKVFM-SJPCQFCGSA-N
XLogP5.85
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.65
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 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

6-[(2S,6S)-2,6-dimethylpiperidin-4-yl]-2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050946
4-[2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,6-dimethylborinane-1-carbonitrile
CID 178050741
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
2-(7-methoxy-2-methylindazol-5-yl)-6-methylimidazo[2,1-b][1,3]thiazole
CID 178050629
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-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-1-carboxylate
CID 178050783
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-(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-[6-(2,7-dimethylindazol-5-yl)-4-methoxy-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 153383108

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2cn3cc(C4C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C4)nc3s2)cc2cn(C)nc12.
What is the InChIKey of 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?
The InChIKey is YKBSETFOTDKVFM-SJPCQFCGSA-N. The full InChI is InChI=1S/C26H33N5O3S/c1-15-8-17(9-16(2)31(15)25(32)34-26(3,4)5)20-13-30-14-22(35-24(30)27-20)18-10-19-12-29(6)28-23(19)21(11-18)33-7/h10-17H,8-9H2,1-7H3/t15-,16+,17?.
What are the key properties of 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?
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 has a molecular weight of 495.65 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178050612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).