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

C14H20N4OS — CID 166943303

IUPACN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESCC12CCCC1CN(C(=O)Nc1nc(C3CC3)ns1)C2
InChIInChI=1S/C14H20N4OS/c1-14-6-2-3-10(14)7-18(8-14)13(19)16-12-15-11(17-20-12)9-4-5-9/h9-10H,2-8H2,1H3,(H,15,16,17,19)
InChIKeyJHWVWDOXNRUINV-UHFFFAOYSA-N
MW292.41 g/mol
LogP3.07
Rot. Bonds2

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

N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (PubChem CID 166943303) 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)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
PubChem CID166943303
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
SMILESCC12CCCC1CN(C(=O)Nc1nc(C3CC3)ns1)C2
InChIInChI=1S/C14H20N4OS/c1-14-6-2-3-10(14)7-18(8-14)13(19)16-12-15-11(17-20-12)9-4-5-9/h9-10H,2-8H2,1H3,(H,15,16,17,19)
InChIKeyJHWVWDOXNRUINV-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide (CID 166943303) is N-(3-cyclopropyl-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 N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is CC12CCCC1CN(C(=O)Nc1nc(C3CC3)ns1)C2.
What is the InChIKey of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is JHWVWDOXNRUINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-14-6-2-3-10(14)7-18(8-14)13(19)16-12-15-11(17-20-12)9-4-5-9/h9-10H,2-8H2,1H3,(H,15,16,17,19).
What are the key properties of N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide?
N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 3.07, 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)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 166943303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).