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

C13H20N4O2S — CID 123385462

IUPACN-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a,5-dimethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESCOc1nsc(NC(=O)N2CC3CC(C)CC3(C)C2)n1
InChIInChI=1S/C13H20N4O2S/c1-8-4-9-6-17(7-13(9,2)5-8)12(18)15-11-14-10(19-3)16-20-11/h8-9H,4-7H2,1-3H3,(H,14,15,16,18)
InChIKeyBRWZRQZIZPBKPA-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.45
Rot. Bonds2

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

N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a,5-dimethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (PubChem CID 123385462) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a,5-dimethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a,5-dimethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
PubChem CID123385462
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a,5-dimethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESCOc1nsc(NC(=O)N2CC3CC(C)CC3(C)C2)n1
InChIInChI=1S/C13H20N4O2S/c1-8-4-9-6-17(7-13(9,2)5-8)12(18)15-11-14-10(19-3)16-20-11/h8-9H,4-7H2,1-3H3,(H,14,15,16,18)
InChIKeyBRWZRQZIZPBKPA-UHFFFAOYSA-N
XLogP2.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

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)-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-(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
(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
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
N-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 155123235
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 155123254

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a,5-dimethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of 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) is N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a,5-dimethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a,5-dimethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a,5-dimethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is COc1nsc(NC(=O)N2CC3CC(C)CC3(C)C2)n1.
What is the InChIKey of N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a,5-dimethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is BRWZRQZIZPBKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-8-4-9-6-17(7-13(9,2)5-8)12(18)15-11-14-10(19-3)16-20-11/h8-9H,4-7H2,1-3H3,(H,14,15,16,18).
What are the key properties of N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a,5-dimethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a,5-dimethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1,2,4-thiadiazol-5-yl)-3a,5-dimethyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 123385462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).