2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide

C17H25N3O2S — CID 97475102

IUPAC2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide
SMILESCc1csc(CN2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)n1
InChIInChI=1S/C17H25N3O2S/c1-12-9-23-16(19-12)7-20-6-14-8-22-11-17(14,10-20)4-15(21)18-5-13-2-3-13/h9,13-14H,2-8,10-11H2,1H3,(H,18,21)/t14-,17+/m1/s1
InChIKeyPJGLDDVXSXGQOZ-PBHICJAKSA-N
MW335.47 g/mol
LogP1.82
Rot. Bonds6

About 2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide

2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 97475102) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID97475102
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide
SMILESCc1csc(CN2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)n1
InChIInChI=1S/C17H25N3O2S/c1-12-9-23-16(19-12)7-20-6-14-8-22-11-17(14,10-20)4-15(21)18-5-13-2-3-13/h9,13-14H,2-8,10-11H2,1H3,(H,18,21)/t14-,17+/m1/s1
InChIKeyPJGLDDVXSXGQOZ-PBHICJAKSA-N
XLogP1.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide 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 2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide (CID 97475102) is 2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide is Cc1csc(CN2C[C@@H]3COC[C@]3(CC(=O)NCC3CC3)C2)n1.
What is the InChIKey of 2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is PJGLDDVXSXGQOZ-PBHICJAKSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12-9-23-16(19-12)7-20-6-14-8-22-11-17(14,10-20)4-15(21)18-5-13-2-3-13/h9,13-14H,2-8,10-11H2,1H3,(H,18,21)/t14-,17+/m1/s1.
What are the key properties of 2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide?
2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 335.47 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 97475102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).