5-[(2-chlorophenoxy)methyl]-1,3-thiazole

C10H8ClNOS — CID 112644769

IUPAC5-[(2-chlorophenoxy)methyl]-1,3-thiazole
SMILESClc1ccccc1OCc1cncs1
InChIInChI=1S/C10H8ClNOS/c11-9-3-1-2-4-10(9)13-6-8-5-12-7-14-8/h1-5,7H,6H2
InChIKeyQBUABJQODKCUPQ-UHFFFAOYSA-N
MW225.70 g/mol
LogP3.38
Rot. Bonds3

About 5-[(2-chlorophenoxy)methyl]-1,3-thiazole

5-[(2-chlorophenoxy)methyl]-1,3-thiazole (PubChem CID 112644769) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-1,3-thiazole
PubChem CID112644769
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name5-[(2-chlorophenoxy)methyl]-1,3-thiazole
SMILESClc1ccccc1OCc1cncs1
InChIInChI=1S/C10H8ClNOS/c11-9-3-1-2-4-10(9)13-6-8-5-12-7-14-8/h1-5,7H,6H2
InChIKeyQBUABJQODKCUPQ-UHFFFAOYSA-N
XLogP3.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 112644779
2-[2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanol
CID 107713207
N-[[2-chloro-6-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115978986
1-[3-chloro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 112640373
N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640303
2-methyl-N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]propan-2-amine
CID 112640397
5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 112645504
3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640173
5-[(5-fluoro-2-methylphenoxy)methyl]-1,3-thiazole
CID 102990539
5-[(2-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 66154438
[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82298972
5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole
CID 112641160

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-1,3-thiazole (CID 112644769) is 5-[(2-chlorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-1,3-thiazole is Clc1ccccc1OCc1cncs1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-1,3-thiazole?
The InChIKey is QBUABJQODKCUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c11-9-3-1-2-4-10(9)13-6-8-5-12-7-14-8/h1-5,7H,6H2.
What are the key properties of 5-[(2-chlorophenoxy)methyl]-1,3-thiazole?
5-[(2-chlorophenoxy)methyl]-1,3-thiazole has a molecular weight of 225.70 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 112644769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).