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

C12H12ClNOS — CID 79764612

IUPAC2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(C)c(OCc2cnc(Cl)s2)c1
InChIInChI=1S/C12H12ClNOS/c1-8-3-4-9(2)11(5-8)15-7-10-6-14-12(13)16-10/h3-6H,7H2,1-2H3
InChIKeyPVQBOQDYTJEQEH-UHFFFAOYSA-N
MW253.75 g/mol
LogP3.99
Rot. Bonds3

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

2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole (PubChem CID 79764612) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
PubChem CID79764612
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(C)c(OCc2cnc(Cl)s2)c1
InChIInChI=1S/C12H12ClNOS/c1-8-3-4-9(2)11(5-8)15-7-10-6-14-12(13)16-10/h3-6H,7H2,1-2H3
InChIKeyPVQBOQDYTJEQEH-UHFFFAOYSA-N
XLogP3.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazole
CID 79764739
[5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79764668
5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774879
5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774221
2-chloro-5-[(3-methylphenoxy)methyl]-1,3-thiazole;ethane
CID 145486679
[5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765706
2-[(2,5-dimethylphenoxy)methyl]thiophene
CID 112725392
5-[(2-fluoro-5-methylphenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774701
2-chloro-5-[(2,4-difluorophenoxy)methyl]-1,3-thiazole
CID 79764988
2-chloro-5-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 79764226
2-chloro-5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79764359
5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685779

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole (CID 79764612) is 2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole is Cc1ccc(C)c(OCc2cnc(Cl)s2)c1.
What is the InChIKey of 2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole?
The InChIKey is PVQBOQDYTJEQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-8-3-4-9(2)11(5-8)15-7-10-6-14-12(13)16-10/h3-6H,7H2,1-2H3.
What are the key properties of 2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole?
2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole has a molecular weight of 253.75 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 79764612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).