methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate

C12H10ClNO3S2 — CID 63649663

IUPACmethyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Oc2ccccc2SC)nc1Cl
InChIInChI=1S/C12H10ClNO3S2/c1-16-11(15)9-10(13)14-12(19-9)17-7-5-3-4-6-8(7)18-2/h3-6H,1-2H3
InChIKeyLSTJYQLJOTWGFD-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.10
Rot. Bonds4

About methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate (PubChem CID 63649663) has the molecular formula C12H10ClNO3S2 and a molecular weight of 315.80 g/mol. Its IUPAC name is methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate
PubChem CID63649663
Molecular FormulaC12H10ClNO3S2
Molecular Weight315.80 g/mol
Exact Mass314.98
IUPAC Namemethyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Oc2ccccc2SC)nc1Cl
InChIInChI=1S/C12H10ClNO3S2/c1-16-11(15)9-10(13)14-12(19-9)17-7-5-3-4-6-8(7)18-2/h3-6H,1-2H3
InChIKeyLSTJYQLJOTWGFD-UHFFFAOYSA-N
XLogP4.10
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-chloro-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 61037086
methyl 4-chloro-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole-5-carboxylate
CID 64854826
methyl 4-chloro-2-(2-methyl-3-nitrophenoxy)-1,3-thiazole-5-carboxylate
CID 61057400
methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate
CID 54915221
methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate
CID 61037210
methyl 2-(4-tert-butylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 61057856
methyl 4-chloro-2-(2-fluoro-4-nitrophenoxy)-1,3-thiazole-5-carboxylate
CID 61058240
methyl 2-(4-acetamidophenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 133424442
methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 61228562
4-chloro-2-(2-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylic acid
CID 80692186
methyl 4-chloro-2-(2-chloro-4-nitrophenoxy)-1,3-thiazole-5-carboxylate
CID 61057861
4-chloro-2-(2-hydroxyphenoxy)-1,3-thiazole-5-carboxylic acid
CID 117258721

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate (CID 63649663) is methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Oc2ccccc2SC)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate?
The InChIKey is LSTJYQLJOTWGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S2/c1-16-11(15)9-10(13)14-12(19-9)17-7-5-3-4-6-8(7)18-2/h3-6H,1-2H3.
What are the key properties of methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate has a molecular weight of 315.80 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 63649663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).