(2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine

C8H12ClNS — CID 89367584

IUPAC(2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine
SMILESC/C=C(Cl)\C=C1/CN[C@@H](C)S1
InChIInChI=1S/C8H12ClNS/c1-3-7(9)4-8-5-10-6(2)11-8/h3-4,6,10H,5H2,1-2H3/b7-3+,8-4+/t6-/m1/s1
InChIKeyOEHWKFAKYQOUPH-AMSYLRIOSA-N
MW189.71 g/mol
LogP2.70
Rot. Bonds1

About (2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine

(2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine (PubChem CID 89367584) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is (2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name(2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine
PubChem CID89367584
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name(2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine
SMILESC/C=C(Cl)\C=C1/CN[C@@H](C)S1
InChIInChI=1S/C8H12ClNS/c1-3-7(9)4-8-5-10-6(2)11-8/h3-4,6,10H,5H2,1-2H3/b7-3+,8-4+/t6-/m1/s1
InChIKeyOEHWKFAKYQOUPH-AMSYLRIOSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine?
The IUPAC name of (2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine (CID 89367584) is (2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine.
What is the SMILES notation for (2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine?
The canonical SMILES for (2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine is C/C=C(Cl)\C=C1/CN[C@@H](C)S1.
What is the InChIKey of (2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine?
The InChIKey is OEHWKFAKYQOUPH-AMSYLRIOSA-N. The full InChI is InChI=1S/C8H12ClNS/c1-3-7(9)4-8-5-10-6(2)11-8/h3-4,6,10H,5H2,1-2H3/b7-3+,8-4+/t6-/m1/s1.
What are the key properties of (2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine?
(2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine has a molecular weight of 189.71 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5E)-5-[(E)-2-chlorobut-2-enylidene]-2-methyl-1,3-thiazolidine is sourced from PubChem (CID 89367584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).