(3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

C13H21N3O2S — CID 162628157

IUPAC(3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCOC[C@@]12COC[C@@H]1CN(c1nnc(C(C)C)s1)C2
InChIInChI=1S/C13H21N3O2S/c1-9(2)11-14-15-12(19-11)16-4-10-5-18-8-13(10,6-16)7-17-3/h9-10H,4-8H2,1-3H3/t10-,13-/m0/s1
InChIKeyKKIDLMFMJILOQJ-GWCFXTLKSA-N
MW283.40 g/mol
LogP1.76
Rot. Bonds4

About (3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

(3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 162628157) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID162628157
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCOC[C@@]12COC[C@@H]1CN(c1nnc(C(C)C)s1)C2
InChIInChI=1S/C13H21N3O2S/c1-9(2)11-14-15-12(19-11)16-4-10-5-18-8-13(10,6-16)7-17-3/h9-10H,4-8H2,1-3H3/t10-,13-/m0/s1
InChIKeyKKIDLMFMJILOQJ-GWCFXTLKSA-N
XLogP1.76
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-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

Related Compounds

(3aR,6aS)-3a-(methoxymethyl)-5-quinoxalin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 162637925
(3aR,6aS)-3a-(methoxymethyl)-5-[4-(trifluoromethyl)pyrimidin-2-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 162638125
6-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-7H-purin-2-amine
CID 162635768
[7-methoxy-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
CID 156605978
4-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 162633660
N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124817532
2-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 163316975
2,6-dimethyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 133365832
(3aR,6aS)-3a-(methoxymethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 163314167
(3aR,6aS)-3a-(methoxymethyl)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124797045
2-[(3aS,6aS)-3a-(oxan-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-methyl-1,3,4-thiadiazole
CID 97484718
(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

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 162628157) is (3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is COC[C@@]12COC[C@@H]1CN(c1nnc(C(C)C)s1)C2.
What is the InChIKey of (3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is KKIDLMFMJILOQJ-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9(2)11-14-15-12(19-11)16-4-10-5-18-8-13(10,6-16)7-17-3/h9-10H,4-8H2,1-3H3/t10-,13-/m0/s1.
What are the key properties of (3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 283.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3a-(methoxymethyl)-5-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 162628157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).