2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole

C7H8ClNOS — CID 83152624

IUPAC2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole
SMILESC/C=C/COc1nc(Cl)cs1
InChIInChI=1S/C7H8ClNOS/c1-2-3-4-10-7-9-6(8)5-11-7/h2-3,5H,4H2,1H3/b3-2+
InChIKeyRNPASPZHDDCWPR-NSCUHMNNSA-N
MW189.67 g/mol
LogP2.75
Rot. Bonds3

About 2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole

2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole (PubChem CID 83152624) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is 2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole
PubChem CID83152624
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC Name2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole
SMILESC/C=C/COc1nc(Cl)cs1
InChIInChI=1S/C7H8ClNOS/c1-2-3-4-10-7-9-6(8)5-11-7/h2-3,5H,4H2,1H3/b3-2+
InChIKeyRNPASPZHDDCWPR-NSCUHMNNSA-N
XLogP2.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole?
The IUPAC name of 2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole (CID 83152624) is 2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole.
What is the SMILES notation for 2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole?
The canonical SMILES for 2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole is C/C=C/COc1nc(Cl)cs1.
What is the InChIKey of 2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole?
The InChIKey is RNPASPZHDDCWPR-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H8ClNOS/c1-2-3-4-10-7-9-6(8)5-11-7/h2-3,5H,4H2,1H3/b3-2+.
What are the key properties of 2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole?
2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole has a molecular weight of 189.67 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enoxy]-4-chloro-1,3-thiazole is sourced from PubChem (CID 83152624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).