methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate

C14H16N2O4S — CID 88861682

IUPACmethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate
SMILESCOC(=O)c1cc(Oc2cnc(N)s2)cc(OC(C)C)c1
InChIInChI=1S/C14H16N2O4S/c1-8(2)19-10-4-9(13(17)18-3)5-11(6-10)20-12-7-16-14(15)21-12/h4-8H,1-3H3,(H2,15,16)
InChIKeyBLRKNEOBLQEAPW-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.09
Rot. Bonds5

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

methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate (PubChem CID 88861682) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate
PubChem CID88861682
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Namemethyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate
SMILESCOC(=O)c1cc(Oc2cnc(N)s2)cc(OC(C)C)c1
InChIInChI=1S/C14H16N2O4S/c1-8(2)19-10-4-9(13(17)18-3)5-11(6-10)20-12-7-16-14(15)21-12/h4-8H,1-3H3,(H2,15,16)
InChIKeyBLRKNEOBLQEAPW-UHFFFAOYSA-N
XLogP3.09
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-propan-2-yloxy-5-pyrazin-2-yloxybenzoate
CID 174658036
methyl 3-propan-2-yloxy-5-pyridin-3-yloxybenzoate
CID 174658028
methyl 4-[(2-amino-1,3-thiazol-5-yl)oxy]-2-chlorobenzoate
CID 88861650
methyl 3-acetyloxy-5-propan-2-yloxybenzoate
CID 174646225
methyl 3-(4-methylsulfonylphenoxy)-5-propan-2-yloxybenzoate
CID 59649315
methyl 3-(4-nitrophenoxy)-5-propan-2-yloxybenzoate
CID 58528840
5-bromo-1,3-thiazol-2-amine;methyl 5-[(2-amino-1,3-thiazol-5-yl)oxy]-2-fluorobenzoate
CID 158776626
methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate
CID 13134332
N-[5-[(6-fluoro-3-pyridinyl)oxy]-1,3-thiazol-2-yl]-3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzamide;5-[(6-methyl-3-pyridinyl)oxy]-1,3-thiazol-2-amine
CID 157320410
methyl 6-[3-[[amino(ethenylsulfanyl)methylidene]carbamoyl]-5-propan-2-yloxyphenoxy]pyridine-3-carboxylate
CID 142937409
methyl 3-[[2-[[3-[(2S)-1-hydroxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-5-yl]oxy]benzoate
CID 59404920
dimethyl 5-(4-amino-2,6-dibromophenoxy)benzene-1,3-dicarboxylate
CID 21252421

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate?
The IUPAC name of methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate (CID 88861682) is methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate.
What is the SMILES notation for methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate?
The canonical SMILES for methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate is COC(=O)c1cc(Oc2cnc(N)s2)cc(OC(C)C)c1.
What is the InChIKey of methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate?
The InChIKey is BLRKNEOBLQEAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-8(2)19-10-4-9(13(17)18-3)5-11(6-10)20-12-7-16-14(15)21-12/h4-8H,1-3H3,(H2,15,16).
What are the key properties of methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate?
methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate has a molecular weight of 308.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-1,3-thiazol-5-yl)oxy]-5-propan-2-yloxybenzoate is sourced from PubChem (CID 88861682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).