(2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

C14H18N4OS — CID 97392514

IUPAC(2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1nc([C@@H]2C[C@H]3CN(Cc4cccs4)C[C@H]3O2)n[nH]1
InChIInChI=1S/C14H18N4OS/c1-9-15-14(17-16-9)12-5-10-6-18(8-13(10)19-12)7-11-3-2-4-20-11/h2-4,10,12-13H,5-8H2,1H3,(H,15,16,17)/t10-,12-,13+/m0/s1
InChIKeyFMFQLSUUVNYQOK-WCFLWFBJSA-N
MW290.39 g/mol
LogP2.14
Rot. Bonds3

About (2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

(2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 97392514) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID97392514
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCc1nc([C@@H]2C[C@H]3CN(Cc4cccs4)C[C@H]3O2)n[nH]1
InChIInChI=1S/C14H18N4OS/c1-9-15-14(17-16-9)12-5-10-6-18(8-13(10)19-12)7-11-3-2-4-20-11/h2-4,10,12-13H,5-8H2,1H3,(H,15,16,17)/t10-,12-,13+/m0/s1
InChIKeyFMFQLSUUVNYQOK-WCFLWFBJSA-N
XLogP2.14
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-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 (2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 97392514) is (2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is Cc1nc([C@@H]2C[C@H]3CN(Cc4cccs4)C[C@H]3O2)n[nH]1.
What is the InChIKey of (2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is FMFQLSUUVNYQOK-WCFLWFBJSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-15-14(17-16-9)12-5-10-6-18(8-13(10)19-12)7-11-3-2-4-20-11/h2-4,10,12-13H,5-8H2,1H3,(H,15,16,17)/t10-,12-,13+/m0/s1.
What are the key properties of (2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
(2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 290.39 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6aS)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-5-(thiophen-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 97392514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).