5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole

C10H16N4S — CID 66213193

IUPAC5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CC3CNCC3C2)n1
InChIInChI=1S/C10H16N4S/c1-2-9-12-10(15-13-9)14-5-7-3-11-4-8(7)6-14/h7-8,11H,2-6H2,1H3
InChIKeySNEWLDHDNLDNJN-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.76
Rot. Bonds2

About 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole

5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole (PubChem CID 66213193) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole
PubChem CID66213193
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CC3CNCC3C2)n1
InChIInChI=1S/C10H16N4S/c1-2-9-12-10(15-13-9)14-5-7-3-11-4-8(7)6-14/h7-8,11H,2-6H2,1H3
InChIKeySNEWLDHDNLDNJN-UHFFFAOYSA-N
XLogP0.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole with MolForge

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Related Compounds

3-ethyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
CID 167763654
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CID 53403990
5-(3-bromo-5-methylpiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 131086575
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(oxetan-3-yl)azetidin-3-amine
CID 136561948
5-(3-bromopyrrolidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 80670014
(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718731
5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole
CID 115314602
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-amine
CID 65275986
5-(3-chloropiperidin-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 65277628
1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
CID 65275177
5-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-3-ethyl-1,2,4-thiadiazole
CID 124889064
3-ethyl-5-(2-ethylpiperazin-1-yl)-1,2,4-thiadiazole
CID 65280832

Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole (CID 66213193) is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole is CCc1nsc(N2CC3CNCC3C2)n1.
What is the InChIKey of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole?
The InChIKey is SNEWLDHDNLDNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-2-9-12-10(15-13-9)14-5-7-3-11-4-8(7)6-14/h7-8,11H,2-6H2,1H3.
What are the key properties of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole?
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole has a molecular weight of 224.33 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 66213193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).