[(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone

C16H24N4O2S — CID 97458521

IUPAC[(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)[C@H]2C[C@H]3[C@H](CCN3Cc3nccs3)O2)CC1
InChIInChI=1S/C16H24N4O2S/c1-18-5-7-19(8-6-18)16(21)14-10-12-13(22-14)2-4-20(12)11-15-17-3-9-23-15/h3,9,12-14H,2,4-8,10-11H2,1H3/t12-,13-,14+/m0/s1
InChIKeyFAUGIXWKGCQKJF-MELADBBJSA-N
MW336.46 g/mol
LogP0.65
Rot. Bonds3

About [(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone

[(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 97458521) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is [(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID97458521
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name[(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)[C@H]2C[C@H]3[C@H](CCN3Cc3nccs3)O2)CC1
InChIInChI=1S/C16H24N4O2S/c1-18-5-7-19(8-6-18)16(21)14-10-12-13(22-14)2-4-20(12)11-15-17-3-9-23-15/h3,9,12-14H,2,4-8,10-11H2,1H3/t12-,13-,14+/m0/s1
InChIKeyFAUGIXWKGCQKJF-MELADBBJSA-N
XLogP0.65
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 97458521) is [(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)[C@H]2C[C@H]3[C@H](CCN3Cc3nccs3)O2)CC1.
What is the InChIKey of [(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FAUGIXWKGCQKJF-MELADBBJSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-18-5-7-19(8-6-18)16(21)14-10-12-13(22-14)2-4-20(12)11-15-17-3-9-23-15/h3,9,12-14H,2,4-8,10-11H2,1H3/t12-,13-,14+/m0/s1.
What are the key properties of [(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone?
[(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 336.46 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,6aS)-4-(1,3-thiazol-2-ylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 97458521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).