5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one

C19H24F3N3O2S — CID 162551173

IUPAC5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one
SMILESCC1(C2CCN(C(=O)CC(F)(F)F)CC2)S/C(=N\[C@H]2C[C@@H]3CC34CC24)NC1=O
InChIInChI=1S/C19H24F3N3O2S/c1-17(10-2-4-25(5-3-10)14(26)9-19(20,21)22)15(27)24-16(28-17)23-13-6-11-7-18(11)8-12(13)18/h10-13H,2-9H2,1H3,(H,23,24,27)/t11-,12?,13+,17?,18?/m1/s1
InChIKeyKOGLSBCVMFNYGW-SMVFDCOOSA-N
MW415.48 g/mol
LogP2.95
Rot. Bonds3

About 5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one

5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one (PubChem CID 162551173) has the molecular formula C19H24F3N3O2S and a molecular weight of 415.48 g/mol. Its IUPAC name is 5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one
PubChem CID162551173
Molecular FormulaC19H24F3N3O2S
Molecular Weight415.48 g/mol
Exact Mass415.15
IUPAC Name5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one
SMILESCC1(C2CCN(C(=O)CC(F)(F)F)CC2)S/C(=N\[C@H]2C[C@@H]3CC34CC24)NC1=O
InChIInChI=1S/C19H24F3N3O2S/c1-17(10-2-4-25(5-3-10)14(26)9-19(20,21)22)15(27)24-16(28-17)23-13-6-11-7-18(11)8-12(13)18/h10-13H,2-9H2,1H3,(H,23,24,27)/t11-,12?,13+,17?,18?/m1/s1
InChIKeyKOGLSBCVMFNYGW-SMVFDCOOSA-N
XLogP2.95
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one (CID 162551173) is 5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one is CC1(C2CCN(C(=O)CC(F)(F)F)CC2)S/C(=N\[C@H]2C[C@@H]3CC34CC24)NC1=O.
What is the InChIKey of 5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one?
The InChIKey is KOGLSBCVMFNYGW-SMVFDCOOSA-N. The full InChI is InChI=1S/C19H24F3N3O2S/c1-17(10-2-4-25(5-3-10)14(26)9-19(20,21)22)15(27)24-16(28-17)23-13-6-11-7-18(11)8-12(13)18/h10-13H,2-9H2,1H3,(H,23,24,27)/t11-,12?,13+,17?,18?/m1/s1.
What are the key properties of 5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one?
5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one has a molecular weight of 415.48 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 162551173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).