methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate

C11H9ClN2O3S — CID 88861650

IUPACmethyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate
SMILESCOC(=O)c1ccc(Oc2cnc(N)s2)cc1Cl
InChIInChI=1S/C11H9ClN2O3S/c1-16-10(15)7-3-2-6(4-8(7)12)17-9-5-14-11(13)18-9/h2-5H,1H3,(H2,13,14)
InChIKeyJSNZQGILYLTSMQ-UHFFFAOYSA-N
MW284.72 g/mol
LogP2.96
Rot. Bonds3

About methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate

methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate (PubChem CID 88861650) has the molecular formula C11H9ClN2O3S and a molecular weight of 284.72 g/mol. Its IUPAC name is methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate.

Molecular Properties

Compound Namemethyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate
PubChem CID88861650
Molecular FormulaC11H9ClN2O3S
Molecular Weight284.72 g/mol
Exact Mass284.00
IUPAC Namemethyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate
SMILESCOC(=O)c1ccc(Oc2cnc(N)s2)cc1Cl
InChIInChI=1S/C11H9ClN2O3S/c1-16-10(15)7-3-2-6(4-8(7)12)17-9-5-14-11(13)18-9/h2-5H,1H3,(H2,13,14)
InChIKeyJSNZQGILYLTSMQ-UHFFFAOYSA-N
XLogP2.96
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-1,3-thiazol-2-amine;methyl 5-[(2-amino-1,3-thiazol-5-yl)oxy]-2-fluorobenzoate
CID 158776626
methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate
CID 88861682
methyl 4-(2-aminopyrimidin-5-yl)-2-chlorobenzoate
CID 67223256
methyl 2-chloro-4-hydrazinylbenzoate
CID 21414029
1-[4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-methylphenyl]-3-pentan-3-ylurea
CID 87792498
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 3-chloropyridine-4-carboxylate
CID 15324397
methyl 2-chloro-4-fluorobenzoate;methyl 2-chloro-4-phenoxybenzoate;phenol
CID 157480353
methyl 2-chloro-4-(hydrazinecarbonyl)benzoate
CID 67050317
methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62058841
methyl 5-amino-2-chlorobenzoate
CID 5200412
methyl 2,4-bis(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
CID 169443489

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate?
The IUPAC name of methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate (CID 88861650) is methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate.
What is the SMILES notation for methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate?
The canonical SMILES for methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate is COC(=O)c1ccc(Oc2cnc(N)s2)cc1Cl.
What is the InChIKey of methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate?
The InChIKey is JSNZQGILYLTSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3S/c1-16-10(15)7-3-2-6(4-8(7)12)17-9-5-14-11(13)18-9/h2-5H,1H3,(H2,13,14).
What are the key properties of methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate?
methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate has a molecular weight of 284.72 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate is sourced from PubChem (CID 88861650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).