2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole

C11H9Cl2NOS — CID 79765516

IUPAC2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole
SMILESClc1ccc(COCc2cnc(Cl)s2)cc1
InChIInChI=1S/C11H9Cl2NOS/c12-9-3-1-8(2-4-9)6-15-7-10-5-14-11(13)16-10/h1-5H,6-7H2
InChIKeyOESPRJVOOLSHPP-UHFFFAOYSA-N
MW274.17 g/mol
LogP4.17
Rot. Bonds4

About 2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole

2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole (PubChem CID 79765516) has the molecular formula C11H9Cl2NOS and a molecular weight of 274.17 g/mol. Its IUPAC name is 2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole
PubChem CID79765516
Molecular FormulaC11H9Cl2NOS
Molecular Weight274.17 g/mol
Exact Mass272.98
IUPAC Name2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole
SMILESClc1ccc(COCc2cnc(Cl)s2)cc1
InChIInChI=1S/C11H9Cl2NOS/c12-9-3-1-8(2-4-9)6-15-7-10-5-14-11(13)16-10/h1-5H,6-7H2
InChIKeyOESPRJVOOLSHPP-UHFFFAOYSA-N
XLogP4.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole (CID 79765516) is 2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole is Clc1ccc(COCc2cnc(Cl)s2)cc1.
What is the InChIKey of 2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole?
The InChIKey is OESPRJVOOLSHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NOS/c12-9-3-1-8(2-4-9)6-15-7-10-5-14-11(13)16-10/h1-5H,6-7H2.
What are the key properties of 2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole?
2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole has a molecular weight of 274.17 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-chlorophenyl)methoxymethyl]-1,3-thiazole is sourced from PubChem (CID 79765516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).