2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

C16H23FN2OS — CID 136503129

IUPAC2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N\C2C3CC4CC2[C@@](F)(C4)C3)NC1=O
InChIInChI=1S/C16H23FN2OS/c1-8(2)15(3)13(20)19-14(21-15)18-12-10-4-9-5-11(12)16(17,6-9)7-10/h8-12H,4-7H2,1-3H3,(H,18,19,20)/t9?,10?,11?,12?,15?,16-/m1/s1
InChIKeyPPHGCHVGVWTRBW-NTFJSKBOSA-N
MW310.44 g/mol
LogP3.15
Rot. Bonds2

About 2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 136503129) has the molecular formula C16H23FN2OS and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID136503129
Molecular FormulaC16H23FN2OS
Molecular Weight310.44 g/mol
Exact Mass310.15
IUPAC Name2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)S/C(=N\C2C3CC4CC2[C@@](F)(C4)C3)NC1=O
InChIInChI=1S/C16H23FN2OS/c1-8(2)15(3)13(20)19-14(21-15)18-12-10-4-9-5-11(12)16(17,6-9)7-10/h8-12H,4-7H2,1-3H3,(H,18,19,20)/t9?,10?,11?,12?,15?,16-/m1/s1
InChIKeyPPHGCHVGVWTRBW-NTFJSKBOSA-N
XLogP3.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (CID 136503129) is 2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1(C)S/C(=N\C2C3CC4CC2[C@@](F)(C4)C3)NC1=O.
What is the InChIKey of 2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is PPHGCHVGVWTRBW-NTFJSKBOSA-N. The full InChI is InChI=1S/C16H23FN2OS/c1-8(2)15(3)13(20)19-14(21-15)18-12-10-4-9-5-11(12)16(17,6-9)7-10/h8-12H,4-7H2,1-3H3,(H,18,19,20)/t9?,10?,11?,12?,15?,16-/m1/s1.
What are the key properties of 2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 310.44 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7R)-7-fluoro-2-tricyclo[3.3.1.03,7]nonanyl]imino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 136503129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).