5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole

C13H19N5S — CID 164643299

IUPAC5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3C[C@H]4CCN(C)[C@H]4C3)sc12
InChIInChI=1S/C13H19N5S/c1-8-11-12(17(3)15-8)14-13(19-11)18-6-9-4-5-16(2)10(9)7-18/h9-10H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyFUWDYKWCEHQXPA-ZJUUUORDSA-N
MW277.40 g/mol
LogP1.48
Rot. Bonds1

About 5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole

5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole (PubChem CID 164643299) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
PubChem CID164643299
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
SMILESCc1nn(C)c2nc(N3C[C@H]4CCN(C)[C@H]4C3)sc12
InChIInChI=1S/C13H19N5S/c1-8-11-12(17(3)15-8)14-13(19-11)18-6-9-4-5-16(2)10(9)7-18/h9-10H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyFUWDYKWCEHQXPA-ZJUUUORDSA-N
XLogP1.48
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
The IUPAC name of 5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole (CID 164643299) is 5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole is Cc1nn(C)c2nc(N3C[C@H]4CCN(C)[C@H]4C3)sc12.
What is the InChIKey of 5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
The InChIKey is FUWDYKWCEHQXPA-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H19N5S/c1-8-11-12(17(3)15-8)14-13(19-11)18-6-9-4-5-16(2)10(9)7-18/h9-10H,4-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of 5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole?
5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole has a molecular weight of 277.40 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aR,6aR)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 164643299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).