4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole

Name: 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₅Cl₂NO₃S — CID 7431881

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole

SMILESCOc1cccc(-c2nc(COc3cc(Cl)ccc3Cl)cs2)c1OC

InChIInChI=1S/C18H15Cl2NO3S/c1-22-15-5-3-4-13(17(15)23-2)18-21-12(10-25-18)9-24-16-8-11(19)6-7-14(16)20/h3-8,10H,9H2,1-2H3

InChIKeyAQSJNTOPSNXXKX-UHFFFAOYSA-N

MW396.30 g/mol

LogP5.71

Rot. Bonds6

About 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole

4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole (PubChem CID 7431881) has the molecular formula C₁₈H₁₅Cl₂NO₃S and a molecular weight of 396.30 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name	4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
PubChem CID	7431881
Molecular Formula	C₁₈H₁₅Cl₂NO₃S
Molecular Weight	396.30 g/mol
Exact Mass	395.01
IUPAC Name	4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole
SMILES	COc1cccc(-c2nc(COc3cc(Cl)ccc3Cl)cs2)c1OC
InChI	InChI=1S/C18H15Cl2NO3S/c1-22-15-5-3-4-13(17(15)23-2)18-21-12(10-25-18)9-24-16-8-11(19)6-7-14(16)20/h3-8,10H,9H2,1-2H3
InChIKey	AQSJNTOPSNXXKX-UHFFFAOYSA-N
XLogP	5.71
TPSA	40.58 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.30
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole?

The IUPAC name of 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole (CID 7431881) is 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole.

What is the SMILES notation for 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole?

The canonical SMILES for 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole is COc1cccc(-c2nc(COc3cc(Cl)ccc3Cl)cs2)c1OC.

What is the InChIKey of 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole?

The InChIKey is AQSJNTOPSNXXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO3S/c1-22-15-5-3-4-13(17(15)23-2)18-21-12(10-25-18)9-24-16-8-11(19)6-7-14(16)20/h3-8,10H,9H2,1-2H3.

What are the key properties of 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole?

4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole has a molecular weight of 396.30 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,5-dichlorophenoxy)methyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 7431881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 7431881 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.