(5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole

C7H8ClNS — CID 129147839

IUPAC(5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole
SMILESCC1=NC/C(=C\C=C\Cl)S1
InChIInChI=1S/C7H8ClNS/c1-6-9-5-7(10-6)3-2-4-8/h2-4H,5H2,1H3/b4-2+,7-3+
InChIKeyURIKCWLEGVIAFI-JKEDICHKSA-N
MW173.67 g/mol
LogP2.79
Rot. Bonds1

About (5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole

(5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole (PubChem CID 129147839) has the molecular formula C7H8ClNS and a molecular weight of 173.67 g/mol. Its IUPAC name is (5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole.

Molecular Properties

Compound Name(5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole
PubChem CID129147839
Molecular FormulaC7H8ClNS
Molecular Weight173.67 g/mol
Exact Mass173.01
IUPAC Name(5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole
SMILESCC1=NC/C(=C\C=C\Cl)S1
InChIInChI=1S/C7H8ClNS/c1-6-9-5-7(10-6)3-2-4-8/h2-4H,5H2,1H3/b4-2+,7-3+
InChIKeyURIKCWLEGVIAFI-JKEDICHKSA-N
XLogP2.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.67
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole?
The IUPAC name of (5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole (CID 129147839) is (5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole.
What is the SMILES notation for (5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole?
The canonical SMILES for (5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole is CC1=NC/C(=C\C=C\Cl)S1.
What is the InChIKey of (5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole?
The InChIKey is URIKCWLEGVIAFI-JKEDICHKSA-N. The full InChI is InChI=1S/C7H8ClNS/c1-6-9-5-7(10-6)3-2-4-8/h2-4H,5H2,1H3/b4-2+,7-3+.
What are the key properties of (5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole?
(5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole has a molecular weight of 173.67 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-3-chloroprop-2-enylidene]-2-methyl-4H-1,3-thiazole is sourced from PubChem (CID 129147839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).