(3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

C15H23N3O3S — CID 98895386

IUPAC(3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCOCCNC(=O)[C@H]1CN(Cc2nc(C)cs2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C15H23N3O3S/c1-10-9-22-13(17-10)8-18-7-11(14-12(18)3-5-21-14)15(19)16-4-6-20-2/h9,11-12,14H,3-8H2,1-2H3,(H,16,19)/t11-,12+,14+/m0/s1
InChIKeyHNIZSJSRWVDMAS-OUCADQQQSA-N
MW325.43 g/mol
LogP0.80
Rot. Bonds6

About (3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide

(3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (PubChem CID 98895386) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is (3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.

Molecular Properties

Compound Name(3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
PubChem CID98895386
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name(3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide
SMILESCOCCNC(=O)[C@H]1CN(Cc2nc(C)cs2)[C@@H]2CCO[C@H]12
InChIInChI=1S/C15H23N3O3S/c1-10-9-22-13(17-10)8-18-7-11(14-12(18)3-5-21-14)15(19)16-4-6-20-2/h9,11-12,14H,3-8H2,1-2H3,(H,16,19)/t11-,12+,14+/m0/s1
InChIKeyHNIZSJSRWVDMAS-OUCADQQQSA-N
XLogP0.80
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The IUPAC name of (3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide (CID 98895386) is (3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide.
What is the SMILES notation for (3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The canonical SMILES for (3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is COCCNC(=O)[C@H]1CN(Cc2nc(C)cs2)[C@@H]2CCO[C@H]12.
What is the InChIKey of (3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
The InChIKey is HNIZSJSRWVDMAS-OUCADQQQSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-10-9-22-13(17-10)8-18-7-11(14-12(18)3-5-21-14)15(19)16-4-6-20-2/h9,11-12,14H,3-8H2,1-2H3,(H,16,19)/t11-,12+,14+/m0/s1.
What are the key properties of (3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide?
(3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aR)-N-(2-methoxyethyl)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole-6-carboxamide is sourced from PubChem (CID 98895386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).