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

C15H24N4S — CID 124889064

IUPAC5-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)n1
InChIInChI=1S/C15H24N4S/c1-2-14-16-15(20-17-14)18-9-7-13-11(10-18)4-3-8-19(13)12-5-6-12/h11-13H,2-10H2,1H3/t11-,13-/m1/s1
InChIKeyZRXBKFJISWOBID-DGCLKSJQSA-N
MW292.45 g/mol
LogP2.55
Rot. Bonds3

About 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

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 (PubChem CID 124889064) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-3-ethyl-1,2,4-thiadiazole
PubChem CID124889064
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name5-[(4aR,8aR)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)n1
InChIInChI=1S/C15H24N4S/c1-2-14-16-15(20-17-14)18-9-7-13-11(10-18)4-3-8-19(13)12-5-6-12/h11-13H,2-10H2,1H3/t11-,13-/m1/s1
InChIKeyZRXBKFJISWOBID-DGCLKSJQSA-N
XLogP2.55
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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-(bromomethyl)piperidin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 80673176
5-(4-bromoazepan-1-yl)-3-ethyl-1,2,4-thiadiazole
CID 130774667
5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-ethyl-1,2,4-thiadiazole
CID 115314602
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-ethyl-1,2,4-thiadiazole
CID 66213193
4-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-methylmorpholine
CID 126823553
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
CID 65273603
1-(3-ethyl-1,2,4-thiadiazol-5-yl)-4-methylpiperidin-4-ol
CID 80702083
3-ethyl-5-[(3S)-3-pyridin-2-ylpiperidin-1-yl]-1,2,4-thiadiazole
CID 125423818

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nsc(N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)n1.
What is the InChIKey of 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?
The InChIKey is ZRXBKFJISWOBID-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H24N4S/c1-2-14-16-15(20-17-14)18-9-7-13-11(10-18)4-3-8-19(13)12-5-6-12/h11-13H,2-10H2,1H3/t11-,13-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 292.45 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 124889064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).