(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

C12H18N4O2S — CID 142355206

IUPAC(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESCOc1nsc(NC(=O)N2C[C@@H]3CCC[C@]3(C)C2)n1
InChIInChI=1S/C12H18N4O2S/c1-12-5-3-4-8(12)6-16(7-12)11(17)14-10-13-9(18-2)15-19-10/h8H,3-7H2,1-2H3,(H,13,14,15,17)/t8-,12+/m0/s1
InChIKeyJVAWYSWCJLXVLU-QPUJVOFHSA-N
MW282.37 g/mol
LogP2.20
Rot. Bonds2

About (3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide

(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (PubChem CID 142355206) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is (3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
PubChem CID142355206
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESCOc1nsc(NC(=O)N2C[C@@H]3CCC[C@]3(C)C2)n1
InChIInChI=1S/C12H18N4O2S/c1-12-5-3-4-8(12)6-16(7-12)11(17)14-10-13-9(18-2)15-19-10/h8H,3-7H2,1-2H3,(H,13,14,15,17)/t8-,12+/m0/s1
InChIKeyJVAWYSWCJLXVLU-QPUJVOFHSA-N
XLogP2.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide with MolForge

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Related Compounds

N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 117669725
N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 121274999
N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a,5-dimethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 123385462
N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 123743633
N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 127452854
(3aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 132127935
(3aR,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 135191151
(3aS,6aR)-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 135191179
(3aS,6aR)-N-[3-(2-hydroxy-2-methylpropoxy)-1,2,4-thiadiazol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 135299955
(3aR,6aS)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 139514846
(3aS)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 142355199
ethane;N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 144752896

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of (3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (CID 142355206) is (3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for (3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is COc1nsc(NC(=O)N2C[C@@H]3CCC[C@]3(C)C2)n1.
What is the InChIKey of (3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is JVAWYSWCJLXVLU-QPUJVOFHSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-12-5-3-4-8(12)6-16(7-12)11(17)14-10-13-9(18-2)15-19-10/h8H,3-7H2,1-2H3,(H,13,14,15,17)/t8-,12+/m0/s1.
What are the key properties of (3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
(3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 142355206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).