2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole

C9H7Cl2NS2 — CID 82122307

IUPAC2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
SMILESClCCc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C9H7Cl2NS2/c10-4-3-9-12-6(5-13-9)7-1-2-8(11)14-7/h1-2,5H,3-4H2
InChIKeyFZVIFOLWGXPVKQ-UHFFFAOYSA-N
MW264.20 g/mol
LogP4.31
Rot. Bonds3

About 2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole

2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole (PubChem CID 82122307) has the molecular formula C9H7Cl2NS2 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
PubChem CID82122307
Molecular FormulaC9H7Cl2NS2
Molecular Weight264.20 g/mol
Exact Mass262.94
IUPAC Name2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
SMILESClCCc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C9H7Cl2NS2/c10-4-3-9-12-6(5-13-9)7-1-2-8(11)14-7/h1-2,5H,3-4H2
InChIKeyFZVIFOLWGXPVKQ-UHFFFAOYSA-N
XLogP4.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole?
The IUPAC name of 2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole (CID 82122307) is 2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole is ClCCc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole?
The InChIKey is FZVIFOLWGXPVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NS2/c10-4-3-9-12-6(5-13-9)7-1-2-8(11)14-7/h1-2,5H,3-4H2.
What are the key properties of 2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole?
2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole has a molecular weight of 264.20 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole is sourced from PubChem (CID 82122307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).