3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one

C19H26N4O3S — CID 128967050

IUPAC3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)c1C
InChIInChI=1S/C19H26N4O3S/c1-11(2)16-20-17(26-21-16)19-7-5-6-14(19)8-22(10-19)15(24)9-23-12(3)13(4)27-18(23)25/h11,14H,5-10H2,1-4H3/t14-,19-/m1/s1
InChIKeyFEWXWWONZKXQEJ-AUUYWEPGSA-N
MW390.51 g/mol
LogP2.61
Rot. Bonds4

About 3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 128967050) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID128967050
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)c1C
InChIInChI=1S/C19H26N4O3S/c1-11(2)16-20-17(26-21-16)19-7-5-6-14(19)8-22(10-19)15(24)9-23-12(3)13(4)27-18(23)25/h11,14H,5-10H2,1-4H3/t14-,19-/m1/s1
InChIKeyFEWXWWONZKXQEJ-AUUYWEPGSA-N
XLogP2.61
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 128967050) is 3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CC(=O)N2C[C@H]3CCC[C@@]3(c3nc(C(C)C)no3)C2)c1C.
What is the InChIKey of 3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is FEWXWWONZKXQEJ-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-11(2)16-20-17(26-21-16)19-7-5-6-14(19)8-22(10-19)15(24)9-23-12(3)13(4)27-18(23)25/h11,14H,5-10H2,1-4H3/t14-,19-/m1/s1.
What are the key properties of 3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 390.51 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3aS,6aS)-3a-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 128967050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).