(3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C16H25N3O3S — CID 97362720

IUPAC(3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCOCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1scnc1C)C2
InChIInChI=1S/C16H25N3O3S/c1-12-13(23-11-18-12)9-19-6-3-14-16(10-19,4-7-22-14)15(20)17-5-8-21-2/h11,14H,3-10H2,1-2H3,(H,17,20)/t14-,16-/m1/s1
InChIKeyMOOPUHNMTUQMMJ-GDBMZVCRSA-N
MW339.46 g/mol
LogP1.20
Rot. Bonds6

About (3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97362720) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97362720
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCOCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1scnc1C)C2
InChIInChI=1S/C16H25N3O3S/c1-12-13(23-11-18-12)9-19-6-3-14-16(10-19,4-7-22-14)15(20)17-5-8-21-2/h11,14H,3-10H2,1-2H3,(H,17,20)/t14-,16-/m1/s1
InChIKeyMOOPUHNMTUQMMJ-GDBMZVCRSA-N
XLogP1.20
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 97362720) is (3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is COCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1scnc1C)C2.
What is the InChIKey of (3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is MOOPUHNMTUQMMJ-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-13(23-11-18-12)9-19-6-3-14-16(10-19,4-7-22-14)15(20)17-5-8-21-2/h11,14H,3-10H2,1-2H3,(H,17,20)/t14-,16-/m1/s1.
What are the key properties of (3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 97362720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).