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

C14H22N4O3S — CID 155123254

IUPACN-[3-(2-hydroxy-2-methylpropoxy)-1,2,4-thiadiazol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCC(C)(O)COc1nsc(NC(=O)N2CC3CCCC3C2)n1
InChIInChI=1S/C14H22N4O3S/c1-14(2,20)8-21-11-15-12(22-17-11)16-13(19)18-6-9-4-3-5-10(9)7-18/h9-10,20H,3-8H2,1-2H3,(H,15,16,17,19)
InChIKeyXPTNDRALAXAQOS-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.95
Rot. Bonds4

About 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

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 (PubChem CID 155123254) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[3-(2-hydroxy-2-methylpropoxy)-1,2,4-thiadiazol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID155123254
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-[3-(2-hydroxy-2-methylpropoxy)-1,2,4-thiadiazol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCC(C)(O)COc1nsc(NC(=O)N2CC3CCCC3C2)n1
InChIInChI=1S/C14H22N4O3S/c1-14(2,20)8-21-11-15-12(22-17-11)16-13(19)18-6-9-4-3-5-10(9)7-18/h9-10,20H,3-8H2,1-2H3,(H,15,16,17,19)
InChIKeyXPTNDRALAXAQOS-UHFFFAOYSA-N
XLogP1.95
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(O)COc1nsc(NC(=O)N2CC3CCCC3C2)n1.
What is the InChIKey of 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?
The InChIKey is XPTNDRALAXAQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-14(2,20)8-21-11-15-12(22-17-11)16-13(19)18-6-9-4-3-5-10(9)7-18/h9-10,20H,3-8H2,1-2H3,(H,15,16,17,19).
What are the key properties of 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?
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 has a molecular weight of 326.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155123254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).