(3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

C16H26N4OS — CID 139020902

IUPAC(3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCCc1nsc(N2C[C@@H]3COC[C@]3(CN3CCCCC3)C2)n1
InChIInChI=1S/C16H26N4OS/c1-2-14-17-15(22-18-14)20-8-13-9-21-12-16(13,11-20)10-19-6-4-3-5-7-19/h13H,2-12H2,1H3/t13-,16+/m1/s1
InChIKeySREHOAJDTDQFEJ-CJNGLKHVSA-N
MW322.48 g/mol
LogP2.04
Rot. Bonds4

About (3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

(3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 139020902) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is (3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID139020902
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name(3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCCc1nsc(N2C[C@@H]3COC[C@]3(CN3CCCCC3)C2)n1
InChIInChI=1S/C16H26N4OS/c1-2-14-17-15(22-18-14)20-8-13-9-21-12-16(13,11-20)10-19-6-4-3-5-7-19/h13H,2-12H2,1H3/t13-,16+/m1/s1
InChIKeySREHOAJDTDQFEJ-CJNGLKHVSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole 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 (3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 139020902) is (3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is CCc1nsc(N2C[C@@H]3COC[C@]3(CN3CCCCC3)C2)n1.
What is the InChIKey of (3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is SREHOAJDTDQFEJ-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-2-14-17-15(22-18-14)20-8-13-9-21-12-16(13,11-20)10-19-6-4-3-5-7-19/h13H,2-12H2,1H3/t13-,16+/m1/s1.
What are the key properties of (3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 322.48 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-(3-ethyl-1,2,4-thiadiazol-5-yl)-3a-(piperidin-1-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 139020902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).