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

C12H14N2OS2 — CID 100578618

IUPACcyclopropyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone
SMILESCc1nc(/C=C2/SCCN2C(=O)C2CC2)cs1
InChIInChI=1S/C12H14N2OS2/c1-8-13-10(7-17-8)6-11-14(4-5-16-11)12(15)9-2-3-9/h6-7,9H,2-5H2,1H3/b11-6+
InChIKeyDACKRRCXSFLCRY-IZZDOVSWSA-N
MW266.39 g/mol
LogP2.74
Rot. Bonds2

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

cyclopropyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone (PubChem CID 100578618) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is cyclopropyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone
PubChem CID100578618
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Namecyclopropyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone
SMILESCc1nc(/C=C2/SCCN2C(=O)C2CC2)cs1
InChIInChI=1S/C12H14N2OS2/c1-8-13-10(7-17-8)6-11-14(4-5-16-11)12(15)9-2-3-9/h6-7,9H,2-5H2,1H3/b11-6+
InChIKeyDACKRRCXSFLCRY-IZZDOVSWSA-N
XLogP2.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of cyclopropyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone (CID 100578618) is cyclopropyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for cyclopropyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone is Cc1nc(/C=C2/SCCN2C(=O)C2CC2)cs1.
What is the InChIKey of cyclopropyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is DACKRRCXSFLCRY-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-8-13-10(7-17-8)6-11-14(4-5-16-11)12(15)9-2-3-9/h6-7,9H,2-5H2,1H3/b11-6+.
What are the key properties of cyclopropyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone?
cyclopropyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 266.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(2E)-2-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 100578618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).