N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C12H18N4O2S — CID 123743633

IUPACN-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCOc1nsc(NC(=O)N2CC3CC(C)CC3C2)n1
InChIInChI=1S/C12H18N4O2S/c1-7-3-8-5-16(6-9(8)4-7)12(17)14-11-13-10(18-2)15-19-11/h7-9H,3-6H2,1-2H3,(H,13,14,15,17)
InChIKeyZZOUVMZZESDLHI-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.06
Rot. Bonds2

About N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 123743633) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID123743633
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCOc1nsc(NC(=O)N2CC3CC(C)CC3C2)n1
InChIInChI=1S/C12H18N4O2S/c1-7-3-8-5-16(6-9(8)4-7)12(17)14-11-13-10(18-2)15-19-11/h7-9H,3-6H2,1-2H3,(H,13,14,15,17)
InChIKeyZZOUVMZZESDLHI-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of 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) is N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is COc1nsc(NC(=O)N2CC3CC(C)CC3C2)n1.
What is the InChIKey of N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is ZZOUVMZZESDLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-7-3-8-5-16(6-9(8)4-7)12(17)14-11-13-10(18-2)15-19-11/h7-9H,3-6H2,1-2H3,(H,13,14,15,17).
What are the key properties of N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
N-(3-methoxy-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 2.06, 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)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 123743633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).