cyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone

C15H20N2OS2 — CID 100578606

IUPACcyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone
SMILESCc1nc(/C=C2/SCCN2C(=O)C2CCCCC2)cs1
InChIInChI=1S/C15H20N2OS2/c1-11-16-13(10-20-11)9-14-17(7-8-19-14)15(18)12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3/b14-9+
InChIKeyWNWDBKXRMIGLNC-NTEUORMPSA-N
MW308.47 g/mol
LogP3.91
Rot. Bonds2

About cyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone

cyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone (PubChem CID 100578606) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is cyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone
PubChem CID100578606
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC Namecyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone
SMILESCc1nc(/C=C2/SCCN2C(=O)C2CCCCC2)cs1
InChIInChI=1S/C15H20N2OS2/c1-11-16-13(10-20-11)9-14-17(7-8-19-14)15(18)12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3/b14-9+
InChIKeyWNWDBKXRMIGLNC-NTEUORMPSA-N
XLogP3.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of cyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone (CID 100578606) is cyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for cyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone is Cc1nc(/C=C2/SCCN2C(=O)C2CCCCC2)cs1.
What is the InChIKey of cyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is WNWDBKXRMIGLNC-NTEUORMPSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-11-16-13(10-20-11)9-14-17(7-8-19-14)15(18)12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3/b14-9+.
What are the key properties of cyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone?
cyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 308.47 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 100578606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).