(3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole

C23H28N4OS — CID 165423414

IUPAC(3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESc1ccc(C2(c3cn4ccsc4n3)CCN(C[C@]34CNC[C@H]3COC4)CC2)cc1
InChIInChI=1S/C23H28N4OS/c1-2-4-18(5-3-1)23(20-13-27-10-11-29-21(27)25-20)6-8-26(9-7-23)16-22-15-24-12-19(22)14-28-17-22/h1-5,10-11,13,19,24H,6-9,12,14-17H2/t19-,22-/m0/s1
InChIKeyNABXGHJHJLSPJS-UGKGYDQZSA-N
MW408.57 g/mol
LogP3.01
Rot. Bonds4

About (3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole

(3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 165423414) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is (3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID165423414
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name(3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESc1ccc(C2(c3cn4ccsc4n3)CCN(C[C@]34CNC[C@H]3COC4)CC2)cc1
InChIInChI=1S/C23H28N4OS/c1-2-4-18(5-3-1)23(20-13-27-10-11-29-21(27)25-20)6-8-26(9-7-23)16-22-15-24-12-19(22)14-28-17-22/h1-5,10-11,13,19,24H,6-9,12,14-17H2/t19-,22-/m0/s1
InChIKeyNABXGHJHJLSPJS-UGKGYDQZSA-N
XLogP3.01
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole with MolForge

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Related Compounds

(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-(1,4-oxazepan-6-yl)methanone;hydrochloride
CID 166599408
4-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)sulfonylmorpholine
CID 165423500
(2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone
CID 165424702
N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 165420834
(4S)-4-amino-5-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)-5-oxopentanamide;hydrochloride
CID 166600240
3a-(morpholin-4-ylmethyl)-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 172642973
1-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-2-morpholin-4-ylethanone
CID 165428931
[4-(hydroxymethyl)oxan-4-yl]-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)methanone
CID 165426261
(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-(4-methyl-1,3-oxazol-5-yl)methanone
CID 165418563
4-amino-1-(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)butan-1-one
CID 165427025
2-[1-[(1-ethylimidazol-2-yl)methyl]-4-phenylpiperidin-4-yl]imidazo[1,2-a]pyridine
CID 165418790
2-methyl-4-[4-phenyl-1-(piperidin-3-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 165418252

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 165423414) is (3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole is c1ccc(C2(c3cn4ccsc4n3)CCN(C[C@]34CNC[C@H]3COC4)CC2)cc1.
What is the InChIKey of (3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is NABXGHJHJLSPJS-UGKGYDQZSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-2-4-18(5-3-1)23(20-13-27-10-11-29-21(27)25-20)6-8-26(9-7-23)16-22-15-24-12-19(22)14-28-17-22/h1-5,10-11,13,19,24H,6-9,12,14-17H2/t19-,22-/m0/s1.
What are the key properties of (3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole?
(3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 408.57 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3a-[(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methyl]-1,3,4,5,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 165423414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).