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

C14H20N4OS — CID 123777157

IUPACN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCC1CC2CN(C(=O)Nc3nc(C4CC4)ns3)CC2C1
InChIInChI=1S/C14H20N4OS/c1-8-4-10-6-18(7-11(10)5-8)14(19)16-13-15-12(17-20-13)9-2-3-9/h8-11H,2-7H2,1H3,(H,15,16,17,19)
InChIKeyAAYGZUCFPRWJNP-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.93
Rot. Bonds2

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

N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 123777157) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-(3-cyclopropyl-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-cyclopropyl-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID123777157
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCC1CC2CN(C(=O)Nc3nc(C4CC4)ns3)CC2C1
InChIInChI=1S/C14H20N4OS/c1-8-4-10-6-18(7-11(10)5-8)14(19)16-13-15-12(17-20-13)9-2-3-9/h8-11H,2-7H2,1H3,(H,15,16,17,19)
InChIKeyAAYGZUCFPRWJNP-UHFFFAOYSA-N
XLogP2.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-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-cyclopropyl-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 123777157) is N-(3-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is CC1CC2CN(C(=O)Nc3nc(C4CC4)ns3)CC2C1.
What is the InChIKey of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is AAYGZUCFPRWJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-8-4-10-6-18(7-11(10)5-8)14(19)16-13-15-12(17-20-13)9-2-3-9/h8-11H,2-7H2,1H3,(H,15,16,17,19).
What are the key properties of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
N-(3-cyclopropyl-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 292.41 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-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 123777157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).