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

C14H11Cl2NO2S — CID 141390009

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 Namemethyl 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-thiazole-4-carboxylate
PubChem CID141390009
Molecular FormulaC14H11Cl2NO2S
Molecular Weight328.22 g/mol
Exact Mass326.99
IUPAC Namemethyl 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
XLogP4.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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).