5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole

C12H15Cl2NS — CID 107125932

IUPAC5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole
SMILESClC/C(=C/c1ncc(Cl)s1)C1CCCCC1
InChIInChI=1S/C12H15Cl2NS/c13-7-10(9-4-2-1-3-5-9)6-12-15-8-11(14)16-12/h6,8-9H,1-5,7H2/b10-6-
InChIKeyBXQMPNSGLRRWSJ-POHAHGRESA-N
MW276.23 g/mol
LogP5.00
Rot. Bonds3

About 5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole

5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole (PubChem CID 107125932) has the molecular formula C12H15Cl2NS and a molecular weight of 276.23 g/mol. Its IUPAC name is 5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole
PubChem CID107125932
Molecular FormulaC12H15Cl2NS
Molecular Weight276.23 g/mol
Exact Mass275.03
IUPAC Name5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole
SMILESClC/C(=C/c1ncc(Cl)s1)C1CCCCC1
InChIInChI=1S/C12H15Cl2NS/c13-7-10(9-4-2-1-3-5-9)6-12-15-8-11(14)16-12/h6,8-9H,1-5,7H2/b10-6-
InChIKeyBXQMPNSGLRRWSJ-POHAHGRESA-N
XLogP5.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole (CID 107125932) is 5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole is ClC/C(=C/c1ncc(Cl)s1)C1CCCCC1.
What is the InChIKey of 5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole?
The InChIKey is BXQMPNSGLRRWSJ-POHAHGRESA-N. The full InChI is InChI=1S/C12H15Cl2NS/c13-7-10(9-4-2-1-3-5-9)6-12-15-8-11(14)16-12/h6,8-9H,1-5,7H2/b10-6-.
What are the key properties of 5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole?
5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole has a molecular weight of 276.23 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(E)-3-chloro-2-cyclohexylprop-1-enyl]-1,3-thiazole is sourced from PubChem (CID 107125932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).