N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

C24H30N4O2S — CID 126463128

IUPACN-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESCCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3c(C)nc4sccn34)CC2)[C@H]1OC
InChIInChI=1S/C24H30N4O2S/c1-4-20(29)26-21-17-7-5-6-8-18(17)24(22(21)30-3)9-11-27(12-10-24)15-19-16(2)25-23-28(19)13-14-31-23/h5-8,13-14,21-22H,4,9-12,15H2,1-3H3,(H,26,29)/t21-,22+/m1/s1
InChIKeyPZVXSNPWKXFKQU-YADHBBJMSA-N
MW438.60 g/mol
LogP3.83
Rot. Bonds5

About N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide

N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (PubChem CID 126463128) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
PubChem CID126463128
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC NameN-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide
SMILESCCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3c(C)nc4sccn34)CC2)[C@H]1OC
InChIInChI=1S/C24H30N4O2S/c1-4-20(29)26-21-17-7-5-6-8-18(17)24(22(21)30-3)9-11-27(12-10-24)15-19-16(2)25-23-28(19)13-14-31-23/h5-8,13-14,21-22H,4,9-12,15H2,1-3H3,(H,26,29)/t21-,22+/m1/s1
InChIKeyPZVXSNPWKXFKQU-YADHBBJMSA-N
XLogP3.83
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The IUPAC name of N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide (CID 126463128) is N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is CCC(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3c(C)nc4sccn34)CC2)[C@H]1OC.
What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
The InChIKey is PZVXSNPWKXFKQU-YADHBBJMSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-4-20(29)26-21-17-7-5-6-8-18(17)24(22(21)30-3)9-11-27(12-10-24)15-19-16(2)25-23-28(19)13-14-31-23/h5-8,13-14,21-22H,4,9-12,15H2,1-3H3,(H,26,29)/t21-,22+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide?
N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide has a molecular weight of 438.60 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxy-1'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]propanamide is sourced from PubChem (CID 126463128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).