[(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone

C16H19N3O3S — CID 97459614

IUPAC[(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCc1nc(CO[C@H]2CN(C(=O)c3ccc[nH]3)[C@@H]3COC[C@H]23)cs1
InChIInChI=1S/C16H19N3O3S/c1-10-18-11(9-23-10)6-22-15-5-19(14-8-21-7-12(14)15)16(20)13-3-2-4-17-13/h2-4,9,12,14-15,17H,5-8H2,1H3/t12-,14+,15-/m0/s1
InChIKeyFCVGSQXBAYFFKG-CFVMTHIKSA-N
MW333.41 g/mol
LogP1.84
Rot. Bonds4

About [(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone

[(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 97459614) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is [(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID97459614
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name[(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCc1nc(CO[C@H]2CN(C(=O)c3ccc[nH]3)[C@@H]3COC[C@H]23)cs1
InChIInChI=1S/C16H19N3O3S/c1-10-18-11(9-23-10)6-22-15-5-19(14-8-21-7-12(14)15)16(20)13-3-2-4-17-13/h2-4,9,12,14-15,17H,5-8H2,1H3/t12-,14+,15-/m0/s1
InChIKeyFCVGSQXBAYFFKG-CFVMTHIKSA-N
XLogP1.84
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone (CID 97459614) is [(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone is Cc1nc(CO[C@H]2CN(C(=O)c3ccc[nH]3)[C@@H]3COC[C@H]23)cs1.
What is the InChIKey of [(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is FCVGSQXBAYFFKG-CFVMTHIKSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-18-11(9-23-10)6-22-15-5-19(14-8-21-7-12(14)15)16(20)13-3-2-4-17-13/h2-4,9,12,14-15,17H,5-8H2,1H3/t12-,14+,15-/m0/s1.
What are the key properties of [(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone?
[(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 333.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 97459614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).