2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole

C11H10ClNOS2 — CID 60563953

IUPAC2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole
SMILESClc1cccc(OCCSc2nccs2)c1
InChIInChI=1S/C11H10ClNOS2/c12-9-2-1-3-10(8-9)14-5-7-16-11-13-4-6-15-11/h1-4,6,8H,5,7H2
InChIKeyDIGMJQBQYRTBQT-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.97
Rot. Bonds5

About 2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole

2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole (PubChem CID 60563953) has the molecular formula C11H10ClNOS2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole
PubChem CID60563953
Molecular FormulaC11H10ClNOS2
Molecular Weight271.79 g/mol
Exact Mass270.99
IUPAC Name2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole
SMILESClc1cccc(OCCSc2nccs2)c1
InChIInChI=1S/C11H10ClNOS2/c12-9-2-1-3-10(8-9)14-5-7-16-11-13-4-6-15-11/h1-4,6,8H,5,7H2
InChIKeyDIGMJQBQYRTBQT-UHFFFAOYSA-N
XLogP3.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole?
The IUPAC name of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole (CID 60563953) is 2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole is Clc1cccc(OCCSc2nccs2)c1.
What is the InChIKey of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole?
The InChIKey is DIGMJQBQYRTBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS2/c12-9-2-1-3-10(8-9)14-5-7-16-11-13-4-6-15-11/h1-4,6,8H,5,7H2.
What are the key properties of 2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole?
2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole has a molecular weight of 271.79 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenoxy)ethylsulfanyl]-1,3-thiazole is sourced from PubChem (CID 60563953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).