(5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one

C13H19F3N2OS — CID 149008740

IUPAC(5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
SMILESCC(C)[C@H]1S/C(=N\C2CCC(C(F)(F)F)CC2)NC1=O
InChIInChI=1S/C13H19F3N2OS/c1-7(2)10-11(19)18-12(20-10)17-9-5-3-8(4-6-9)13(14,15)16/h7-10H,3-6H2,1-2H3,(H,17,18,19)/t8?,9?,10-/m1/s1
InChIKeyQBCMFLSCWWDMAY-UDNWOFFPSA-N
MW308.37 g/mol
LogP3.35
Rot. Bonds2

About (5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one

(5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one (PubChem CID 149008740) has the molecular formula C13H19F3N2OS and a molecular weight of 308.37 g/mol. Its IUPAC name is (5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
PubChem CID149008740
Molecular FormulaC13H19F3N2OS
Molecular Weight308.37 g/mol
Exact Mass308.12
IUPAC Name(5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one
SMILESCC(C)[C@H]1S/C(=N\C2CCC(C(F)(F)F)CC2)NC1=O
InChIInChI=1S/C13H19F3N2OS/c1-7(2)10-11(19)18-12(20-10)17-9-5-3-8(4-6-9)13(14,15)16/h7-10H,3-6H2,1-2H3,(H,17,18,19)/t8?,9?,10-/m1/s1
InChIKeyQBCMFLSCWWDMAY-UDNWOFFPSA-N
XLogP3.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.35
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 (5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one (CID 149008740) is (5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one is CC(C)[C@H]1S/C(=N\C2CCC(C(F)(F)F)CC2)NC1=O.
What is the InChIKey of (5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one?
The InChIKey is QBCMFLSCWWDMAY-UDNWOFFPSA-N. The full InChI is InChI=1S/C13H19F3N2OS/c1-7(2)10-11(19)18-12(20-10)17-9-5-3-8(4-6-9)13(14,15)16/h7-10H,3-6H2,1-2H3,(H,17,18,19)/t8?,9?,10-/m1/s1.
What are the key properties of (5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one?
(5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one has a molecular weight of 308.37 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 149008740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).