2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole

C12H19N3S — CID 103198203

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole
SMILESCCc1csc(N2CCCC3CNCC32)n1
InChIInChI=1S/C12H19N3S/c1-2-10-8-16-12(14-10)15-5-3-4-9-6-13-7-11(9)15/h8-9,11,13H,2-7H2,1H3
InChIKeyZZBOECIHRFIEGO-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.89
Rot. Bonds2

About 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole

2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole (PubChem CID 103198203) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole
PubChem CID103198203
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole
SMILESCCc1csc(N2CCCC3CNCC32)n1
InChIInChI=1S/C12H19N3S/c1-2-10-8-16-12(14-10)15-5-3-4-9-6-13-7-11(9)15/h8-9,11,13H,2-7H2,1H3
InChIKeyZZBOECIHRFIEGO-UHFFFAOYSA-N
XLogP1.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole with MolForge

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Related Compounds

2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole
CID 131043281
N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62960856
3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63760448
ethyl 2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574451
(3aS,6aS)-1-(1-cyclopentyl-4-ethylimidazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrole
CID 106551917
5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-3-cyclopropyl-1,2,4-thiadiazole
CID 103198225
(3aS,6aS)-1-(1-cyclohexyl-4-ethylimidazol-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 106551899
N-[1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 65322394
2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-4-(chloromethyl)-1,3-thiazole
CID 130978354
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone
CID 63844473
4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole
CID 60974332
4-ethyl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1,3-thiazole
CID 62961567

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole (CID 103198203) is 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole is CCc1csc(N2CCCC3CNCC32)n1.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole?
The InChIKey is ZZBOECIHRFIEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-10-8-16-12(14-10)15-5-3-4-9-6-13-7-11(9)15/h8-9,11,13H,2-7H2,1H3.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole?
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole is sourced from PubChem (CID 103198203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).