[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone

C21H23N3OS — CID 71085990

IUPAC[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
SMILESO=C(c1cn2ccsc2n1)N1CC[C@H](c2ccccc2)[C@H]2CCCC[C@H]21
InChIInChI=1S/C21H23N3OS/c25-20(18-14-23-12-13-26-21(23)22-18)24-11-10-16(15-6-2-1-3-7-15)17-8-4-5-9-19(17)24/h1-3,6-7,12-14,16-17,19H,4-5,8-11H2/t16-,17-,19-/m1/s1
InChIKeyUCUIUKWTUPPUGX-ZHALLVOQSA-N
MW365.50 g/mol
LogP4.58
Rot. Bonds2

About [(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone

[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone (PubChem CID 71085990) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is [(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone.

Molecular Properties

Compound Name[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
PubChem CID71085990
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
SMILESO=C(c1cn2ccsc2n1)N1CC[C@H](c2ccccc2)[C@H]2CCCC[C@H]21
InChIInChI=1S/C21H23N3OS/c25-20(18-14-23-12-13-26-21(23)22-18)24-11-10-16(15-6-2-1-3-7-15)17-8-4-5-9-19(17)24/h1-3,6-7,12-14,16-17,19H,4-5,8-11H2/t16-,17-,19-/m1/s1
InChIKeyUCUIUKWTUPPUGX-ZHALLVOQSA-N
XLogP4.58
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
The IUPAC name of [(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone (CID 71085990) is [(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone.
What is the SMILES notation for [(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
The canonical SMILES for [(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone is O=C(c1cn2ccsc2n1)N1CC[C@H](c2ccccc2)[C@H]2CCCC[C@H]21.
What is the InChIKey of [(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
The InChIKey is UCUIUKWTUPPUGX-ZHALLVOQSA-N. The full InChI is InChI=1S/C21H23N3OS/c25-20(18-14-23-12-13-26-21(23)22-18)24-11-10-16(15-6-2-1-3-7-15)17-8-4-5-9-19(17)24/h1-3,6-7,12-14,16-17,19H,4-5,8-11H2/t16-,17-,19-/m1/s1.
What are the key properties of [(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone?
[(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone has a molecular weight of 365.50 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,4aR,8aR)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone is sourced from PubChem (CID 71085990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).