Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate

Name: Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₁Cl₂NO₂S — CID 141390009

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

IUPACmethyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate

SMILESCOC(=O)c1c(-c2c(Cl)cccc2Cl)nsc1C1CC1

InChIInChI=1S/C14H11Cl2NO2S/c1-19-14(18)11-12(17-20-13(11)7-5-6-7)10-8(15)3-2-4-9(10)16/h2-4,7H,5-6H2,1H3

InChIKeyWAOKNQPDQUMGOX-UHFFFAOYSA-N

MW328.22 g/mol

LogP4.78

Rot. Bonds3

About Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate

Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate (PubChem CID 141390009) has the molecular formula C₁₄H₁₁Cl₂NO₂S and a molecular weight of 328.22 g/mol. Its IUPAC name is methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name	Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate
PubChem CID	141390009
Molecular Formula	C₁₄H₁₁Cl₂NO₂S
Molecular Weight	328.22 g/mol
Exact Mass	326.99
IUPAC Name	methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate
SMILES	COC(=O)c1c(-c2c(Cl)cccc2Cl)nsc1C1CC1
InChI	InChI=1S/C14H11Cl2NO2S/c1-19-14(18)11-12(17-20-13(11)7-5-6-7)10-8(15)3-2-4-9(10)16/h2-4,7H,5-6H2,1H3
InChIKey	WAOKNQPDQUMGOX-UHFFFAOYSA-N
XLogP	4.78
TPSA	39.19 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.22
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate?

The IUPAC name of Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate (CID 141390009) is methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate.

What is the SMILES notation for Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate?

The canonical SMILES for Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate is COC(=O)c1c(-c2c(Cl)cccc2Cl)nsc1C1CC1.

What is the InChIKey of Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate?

The InChIKey is WAOKNQPDQUMGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2S/c1-19-14(18)11-12(17-20-13(11)7-5-6-7)10-8(15)3-2-4-9(10)16/h2-4,7H,5-6H2,1H3.

What are the key properties of Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate?

Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate has a molecular weight of 328.22 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 141390009), 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 141390009 — 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.