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

C14H21N3O2S — CID 97362784

IUPAC(3aR,7aR)-N-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1scnc1C)C2
InChIInChI=1S/C14H21N3O2S/c1-10-11(20-9-16-10)7-17-5-3-12-14(8-17,4-6-19-12)13(18)15-2/h9,12H,3-8H2,1-2H3,(H,15,18)/t12-,14-/m1/s1
InChIKeyMYXWBXPQPSNGCD-TZMCWYRMSA-N
MW295.41 g/mol
LogP1.18
Rot. Bonds3

About (3aR,7aR)-N-methyl-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-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 97362784) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (3aR,7aR)-N-methyl-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-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID97362784
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(3aR,7aR)-N-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1scnc1C)C2
InChIInChI=1S/C14H21N3O2S/c1-10-11(20-9-16-10)7-17-5-3-12-14(8-17,4-6-19-12)13(18)15-2/h9,12H,3-8H2,1-2H3,(H,15,18)/t12-,14-/m1/s1
InChIKeyMYXWBXPQPSNGCD-TZMCWYRMSA-N
XLogP1.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,7aR)-N-methyl-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-methyl-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-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 97362784) is (3aR,7aR)-N-methyl-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-methyl-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-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is CNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1scnc1C)C2.
What is the InChIKey of (3aR,7aR)-N-methyl-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 MYXWBXPQPSNGCD-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10-11(20-9-16-10)7-17-5-3-12-14(8-17,4-6-19-12)13(18)15-2/h9,12H,3-8H2,1-2H3,(H,15,18)/t12-,14-/m1/s1.
What are the key properties of (3aR,7aR)-N-methyl-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-methyl-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 295.41 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-N-methyl-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 97362784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).