2-chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole

C12H12ClNOS — CID 1474888

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

About 2-chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole

2-chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole (PubChem CID 1474888) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 2-chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole
PubChem CID1474888
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name2-chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole
SMILESCc1ccc(OCc2cnc(Cl)s2)c(C)c1
InChIInChI=1S/C12H12ClNOS/c1-8-3-4-11(9(2)5-8)15-7-10-6-14-12(13)16-10/h3-6H,7H2,1-2H3
InChIKeyRAHNIPNQGIYVQS-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

Analyze 2-chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-5-[[4-(1,1-dimethylethyl)phenoxy]methyl]thiazole
CID 1484591
(E)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512250
(Z)-3-fluoro-2-[[4-(2-methyl-1,3-thiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369023
2-Chloro-5-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 1484575
2-Chloro-5-[(4-ethylphenoxy)methyl]-1,3-thiazole
CID 3477814
5-(4-Methoxyphenyl)thiazole
CID 69645159
2-Bromo-5-(4-methoxyphenyl)thiazole
CID 45142089
5-(4-Methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 126537806
2-Fluoro-4-(thiazol-5-ylmethoxy)benzonitrile
CID 10609721
2-Chloro-5-[(3-fluoro-4-methylphenoxy)methyl]-1,3-thiazole
CID 23377281
[2-Fluoro-4-(1,3-thiazol-5-ylmethoxy)phenyl]-dimethylborane
CID 58430075
5-[(3-Fluoro-4-methylphenoxy)methyl]-1,3-thiazole
CID 70640680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole (CID 1474888) is 2-chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole is Cc1ccc(OCc2cnc(Cl)s2)c(C)c1.
What is the InChIKey of 2-chloro-5-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole?
The InChIKey is RAHNIPNQGIYVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-8-3-4-11(9(2)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-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole?
2-chloro-5-[(2,4-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-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 1474888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).