[(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone

C17H18N4O2S — CID 133135852

IUPAC[(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1C[C@H]2C[C@H](c3nc(C4CC4)cs3)O[C@H]2C1
InChIInChI=1S/C17H18N4O2S/c22-17(11-3-4-18-19-6-11)21-7-12-5-14(23-15(12)8-21)16-20-13(9-24-16)10-1-2-10/h3-4,6,9-10,12,14-15H,1-2,5,7-8H2/t12-,14-,15+/m1/s1
InChIKeyVBSIOLKFNFOCMM-YUELXQCFSA-N
MW342.42 g/mol
LogP2.41
Rot. Bonds3

About [(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone

[(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone (PubChem CID 133135852) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is [(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone
PubChem CID133135852
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name[(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1C[C@H]2C[C@H](c3nc(C4CC4)cs3)O[C@H]2C1
InChIInChI=1S/C17H18N4O2S/c22-17(11-3-4-18-19-6-11)21-7-12-5-14(23-15(12)8-21)16-20-13(9-24-16)10-1-2-10/h3-4,6,9-10,12,14-15H,1-2,5,7-8H2/t12-,14-,15+/m1/s1
InChIKeyVBSIOLKFNFOCMM-YUELXQCFSA-N
XLogP2.41
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone 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

[(2S,3aS,6aS)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 127021417
[(2R,3aS,7aS)-2-(2-methylpyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridazin-4-ylmethanone
CID 97369574
[(2S,3aS,7aS)-2-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyridazin-4-ylmethanone
CID 97369736
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyridazin-4-yl)methanone
CID 104671595
(2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124802108
(2R,3aR,7aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(furan-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124801973
[(2R,3aS,7aS)-2-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 97369503
[(2R,3aR,6aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 133141593
[(2S,3aS,6aS)-2-(1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 97369230
[(2R,3aR,7aR)-2-(4-methyl-1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 133139611
[(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methylthiophen-2-yl)methanone
CID 97392488
[(3aR,6aS)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridazin-4-ylmethanone
CID 97422892

Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone (CID 133135852) is [(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1C[C@H]2C[C@H](c3nc(C4CC4)cs3)O[C@H]2C1.
What is the InChIKey of [(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone?
The InChIKey is VBSIOLKFNFOCMM-YUELXQCFSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-17(11-3-4-18-19-6-11)21-7-12-5-14(23-15(12)8-21)16-20-13(9-24-16)10-1-2-10/h3-4,6,9-10,12,14-15H,1-2,5,7-8H2/t12-,14-,15+/m1/s1.
What are the key properties of [(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone?
[(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone has a molecular weight of 342.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,6aR)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 133135852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).