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

C13H20N4OS — CID 155123133

IUPACN-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCC(C)c1nsc(NC(=O)N2CC3CCCC3C2)n1
InChIInChI=1S/C13H20N4OS/c1-8(2)11-14-12(19-16-11)15-13(18)17-6-9-4-3-5-10(9)7-17/h8-10H,3-7H2,1-2H3,(H,14,15,16,18)
InChIKeyGNQGSWZCZREMEX-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.93
Rot. Bonds2

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

N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 155123133) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID155123133
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCC(C)c1nsc(NC(=O)N2CC3CCCC3C2)n1
InChIInChI=1S/C13H20N4OS/c1-8(2)11-14-12(19-16-11)15-13(18)17-6-9-4-3-5-10(9)7-17/h8-10H,3-7H2,1-2H3,(H,14,15,16,18)
InChIKeyGNQGSWZCZREMEX-UHFFFAOYSA-N
XLogP2.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
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-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 155123133) is N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is CC(C)c1nsc(NC(=O)N2CC3CCCC3C2)n1.
What is the InChIKey of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is GNQGSWZCZREMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-8(2)11-14-12(19-16-11)15-13(18)17-6-9-4-3-5-10(9)7-17/h8-10H,3-7H2,1-2H3,(H,14,15,16,18).
What are the key properties of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 280.40 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-propan-2-yl-1,2,4-thiadiazol-5-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 155123133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).