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

C13H13Cl2NOS — CID 2806218

IUPAC4-[(2,4-dichloro-3,5-dimethylphenoxy)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COc2cc(C)c(Cl)c(C)c2Cl)cs1
InChIInChI=1S/C13H13Cl2NOS/c1-7-4-11(13(15)8(2)12(7)14)17-5-10-6-18-9(3)16-10/h4,6H,5H2,1-3H3
InChIKeyTTYDVFJQLFVWMN-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.95
Rot. Bonds3

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

4-[(2,4-dichloro-3,5-dimethylphenoxy)methyl]-2-methyl-1,3-thiazole (PubChem CID 2806218) has the molecular formula C13H13Cl2NOS and a molecular weight of 302.23 g/mol. Its IUPAC name is 4-[(2,4-dichloro-3,5-dimethylphenoxy)methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(2,4-dichloro-3,5-dimethylphenoxy)methyl]-2-methyl-1,3-thiazole
PubChem CID2806218
Molecular FormulaC13H13Cl2NOS
Molecular Weight302.23 g/mol
Exact Mass301.01
IUPAC Name4-[(2,4-dichloro-3,5-dimethylphenoxy)methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COc2cc(C)c(Cl)c(C)c2Cl)cs1
InChIInChI=1S/C13H13Cl2NOS/c1-7-4-11(13(15)8(2)12(7)14)17-5-10-6-18-9(3)16-10/h4,6H,5H2,1-3H3
InChIKeyTTYDVFJQLFVWMN-UHFFFAOYSA-N
XLogP4.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichloro-3,5-dimethylphenoxy)methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(2,4-dichloro-3,5-dimethylphenoxy)methyl]-2-methyl-1,3-thiazole (CID 2806218) is 4-[(2,4-dichloro-3,5-dimethylphenoxy)methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(2,4-dichloro-3,5-dimethylphenoxy)methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(2,4-dichloro-3,5-dimethylphenoxy)methyl]-2-methyl-1,3-thiazole is Cc1nc(COc2cc(C)c(Cl)c(C)c2Cl)cs1.
What is the InChIKey of 4-[(2,4-dichloro-3,5-dimethylphenoxy)methyl]-2-methyl-1,3-thiazole?
The InChIKey is TTYDVFJQLFVWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NOS/c1-7-4-11(13(15)8(2)12(7)14)17-5-10-6-18-9(3)16-10/h4,6H,5H2,1-3H3.
What are the key properties of 4-[(2,4-dichloro-3,5-dimethylphenoxy)methyl]-2-methyl-1,3-thiazole?
4-[(2,4-dichloro-3,5-dimethylphenoxy)methyl]-2-methyl-1,3-thiazole has a molecular weight of 302.23 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichloro-3,5-dimethylphenoxy)methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 2806218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).