cycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone

C19H33NOS — CID 126662939

IUPACcycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone
SMILESCN1C(C(=O)C2CCCCCC2)CSC1C1CCCCCC1
InChIInChI=1S/C19H33NOS/c1-20-17(18(21)15-10-6-2-3-7-11-15)14-22-19(20)16-12-8-4-5-9-13-16/h15-17,19H,2-14H2,1H3
InChIKeyKJFOMFVKIZCPDC-UHFFFAOYSA-N
MW323.55 g/mol
LogP4.87
Rot. Bonds3

About cycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone

cycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone (PubChem CID 126662939) has the molecular formula C19H33NOS and a molecular weight of 323.55 g/mol. Its IUPAC name is cycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Namecycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone
PubChem CID126662939
Molecular FormulaC19H33NOS
Molecular Weight323.55 g/mol
Exact Mass323.23
IUPAC Namecycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone
SMILESCN1C(C(=O)C2CCCCCC2)CSC1C1CCCCCC1
InChIInChI=1S/C19H33NOS/c1-20-17(18(21)15-10-6-2-3-7-11-15)14-22-19(20)16-12-8-4-5-9-13-16/h15-17,19H,2-14H2,1H3
InChIKeyKJFOMFVKIZCPDC-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.55
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone?
The IUPAC name of cycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone (CID 126662939) is cycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for cycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for cycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone is CN1C(C(=O)C2CCCCCC2)CSC1C1CCCCCC1.
What is the InChIKey of cycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone?
The InChIKey is KJFOMFVKIZCPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NOS/c1-20-17(18(21)15-10-6-2-3-7-11-15)14-22-19(20)16-12-8-4-5-9-13-16/h15-17,19H,2-14H2,1H3.
What are the key properties of cycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone?
cycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone has a molecular weight of 323.55 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(2-cycloheptyl-3-methyl-1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 126662939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).