methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate

C12H10ClNO4S — CID 61228562

IUPACmethyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Oc2ccc(CO)cc2)nc1Cl
InChIInChI=1S/C12H10ClNO4S/c1-17-11(16)9-10(13)14-12(19-9)18-8-4-2-7(6-15)3-5-8/h2-5,15H,6H2,1H3
InChIKeyXJMIISAKSQVHLP-UHFFFAOYSA-N
MW299.74 g/mol
LogP2.87
Rot. Bonds4

About methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate (PubChem CID 61228562) has the molecular formula C12H10ClNO4S and a molecular weight of 299.74 g/mol. Its IUPAC name is methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate
PubChem CID61228562
Molecular FormulaC12H10ClNO4S
Molecular Weight299.74 g/mol
Exact Mass299.00
IUPAC Namemethyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(Oc2ccc(CO)cc2)nc1Cl
InChIInChI=1S/C12H10ClNO4S/c1-17-11(16)9-10(13)14-12(19-9)18-8-4-2-7(6-15)3-5-8/h2-5,15H,6H2,1H3
InChIKeyXJMIISAKSQVHLP-UHFFFAOYSA-N
XLogP2.87
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.74
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4-tert-butylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 61057856
methyl 2-(4-acetamidophenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 133424442
methyl 2-(4-bromo-3-methylphenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 83133098
methyl 4-chloro-2-(3-fluorophenoxy)-1,3-thiazole-5-carboxylate
CID 54915221
4-chloro-2-[4-(2-methoxyethyl)phenoxy]-1,3-thiazole-5-carboxylic acid
CID 80693618
methyl 4-chloro-2-(3-propan-2-ylphenoxy)-1,3-thiazole-5-carboxylate
CID 61037210
methyl 4-chloro-2-[(3-methoxyphenyl)methoxy]-1,3-thiazole-5-carboxylate
CID 60824795
methyl 4-chloro-2-(2-methylsulfanylphenoxy)-1,3-thiazole-5-carboxylate
CID 63649663
methyl 4-chloro-2-(2-fluoro-5-methylphenoxy)-1,3-thiazole-5-carboxylate
CID 64854826
methyl 4-chloro-2-[2-(trifluoromethyl)phenoxy]-1,3-thiazole-5-carboxylate
CID 61037086
methyl 2-(3-bromo-5-nitrophenoxy)-4-chloro-1,3-thiazole-5-carboxylate
CID 103588596
methyl 4-chloro-2-(4-propylanilino)-1,3-thiazole-5-carboxylate
CID 60844737

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate (CID 61228562) is methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(Oc2ccc(CO)cc2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate?
The InChIKey is XJMIISAKSQVHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4S/c1-17-11(16)9-10(13)14-12(19-9)18-8-4-2-7(6-15)3-5-8/h2-5,15H,6H2,1H3.
What are the key properties of methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate has a molecular weight of 299.74 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[4-(hydroxymethyl)phenoxy]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 61228562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).