4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole

C18H24N4OS — CID 124798965

IUPAC4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole
SMILESCc1ccc(N2C[C@@H]3CCC[C@]3(COCc3csc(C)n3)C2)nn1
InChIInChI=1S/C18H24N4OS/c1-13-5-6-17(21-20-13)22-8-15-4-3-7-18(15,11-22)12-23-9-16-10-24-14(2)19-16/h5-6,10,15H,3-4,7-9,11-12H2,1-2H3/t15-,18+/m0/s1
InChIKeyNEGHCTBQOXQMRG-MAUKXSAKSA-N
MW344.48 g/mol
LogP3.37
Rot. Bonds5

About 4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole

4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole (PubChem CID 124798965) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole
PubChem CID124798965
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole
SMILESCc1ccc(N2C[C@@H]3CCC[C@]3(COCc3csc(C)n3)C2)nn1
InChIInChI=1S/C18H24N4OS/c1-13-5-6-17(21-20-13)22-8-15-4-3-7-18(15,11-22)12-23-9-16-10-24-14(2)19-16/h5-6,10,15H,3-4,7-9,11-12H2,1-2H3/t15-,18+/m0/s1
InChIKeyNEGHCTBQOXQMRG-MAUKXSAKSA-N
XLogP3.37
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

3-[[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]methyl]-5-methyl-1,2-oxazole
CID 124797600
(3S,3aS,7aR)-1-(6-methylpyridazin-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97364838
(3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97421150
(4aS,8aS)-4a-(methoxymethyl)-6-(6-methylpyridazin-3-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 98810525
[(3aS,6aS)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-phenylmethanone
CID 124810349
2-[[(4aR,8aS)-6-(6-methylpyridazin-3-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97363771
2-[[(4aS,8aR)-6-(6-methylpyridazin-3-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 98810648
2-[[(3aS,6aS)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97484970
[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyridin-2-ylmethanone
CID 97484600
2-(6-methylpyridazin-3-yl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81116309
1-[(3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(furan-2-yl)ethanone
CID 124796194
(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155833991

Frequently Asked Questions

What is the IUPAC name of 4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole (CID 124798965) is 4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole is Cc1ccc(N2C[C@@H]3CCC[C@]3(COCc3csc(C)n3)C2)nn1.
What is the InChIKey of 4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole?
The InChIKey is NEGHCTBQOXQMRG-MAUKXSAKSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-5-6-17(21-20-13)22-8-15-4-3-7-18(15,11-22)12-23-9-16-10-24-14(2)19-16/h5-6,10,15H,3-4,7-9,11-12H2,1-2H3/t15-,18+/m0/s1.
What are the key properties of 4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole?
4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole has a molecular weight of 344.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3aR,6aR)-2-(6-methylpyridazin-3-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 124798965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).