[(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone

C17H25N3O2S — CID 97362726

IUPAC[(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCC3)C2)cs1
InChIInChI=1S/C17H25N3O2S/c1-13-18-14(11-23-13)10-19-8-4-15-17(12-19,5-9-22-15)16(21)20-6-2-3-7-20/h11,15H,2-10,12H2,1H3/t15-,17-/m1/s1
InChIKeyJYRBEBRHXBRDJJ-NVXWUHKLSA-N
MW335.47 g/mol
LogP2.05
Rot. Bonds3

About [(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone

[(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97362726) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is [(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone
PubChem CID97362726
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name[(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCC3)C2)cs1
InChIInChI=1S/C17H25N3O2S/c1-13-18-14(11-23-13)10-19-8-4-15-17(12-19,5-9-22-15)16(21)20-6-2-3-7-20/h11,15H,2-10,12H2,1H3/t15-,17-/m1/s1
InChIKeyJYRBEBRHXBRDJJ-NVXWUHKLSA-N
XLogP2.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone
CID 97949859
[10,10-Difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-(oxolan-3-yl)methanone
CID 131691168
(3aR,7aR)-N-cyclobutyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 155823786
[(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155824315
[(3aR,7aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155841787
[(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155842242
[(3aR,7aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155863237
2-[(2-Ethyl-1,3-thiazol-4-YL)methyl]-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72837576
7-({2-[(Methylthio)methyl]-1,3-thiazol-4-yl}methyl)-2-oxa-7-azaspiro[4.5]decan-8-one
CID 72870507
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907361
(5R)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109786
(5S)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109787

Frequently Asked Questions

What is the IUPAC name of [(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone (CID 97362726) is [(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone is Cc1nc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCC3)C2)cs1.
What is the InChIKey of [(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JYRBEBRHXBRDJJ-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-13-18-14(11-23-13)10-19-8-4-15-17(12-19,5-9-22-15)16(21)20-6-2-3-7-20/h11,15H,2-10,12H2,1H3/t15-,17-/m1/s1.
What are the key properties of [(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone?
[(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 335.47 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97362726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).