methyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate

C11H11N3O2S — CID 70304157

IUPACmethyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate
SMILESCOC(=O)Cc1ccc(Nc2ncsn2)cc1
InChIInChI=1S/C11H11N3O2S/c1-16-10(15)6-8-2-4-9(5-3-8)13-11-12-7-17-14-11/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeySXRNZRILDWJCGD-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.00
Rot. Bonds4

About methyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate

methyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate (PubChem CID 70304157) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is methyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate
PubChem CID70304157
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Namemethyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate
SMILESCOC(=O)Cc1ccc(Nc2ncsn2)cc1
InChIInChI=1S/C11H11N3O2S/c1-16-10(15)6-8-2-4-9(5-3-8)13-11-12-7-17-14-11/h2-5,7H,6H2,1H3,(H,13,14)
InChIKeySXRNZRILDWJCGD-UHFFFAOYSA-N
XLogP2.00
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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methyl 2-[4-(cyanomethylamino)phenyl]acetate
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methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
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methyl 2-(4-chlorosulfanylphenyl)acetate
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methyl 2-[4-(methylaminomethyl)phenyl]acetate
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sodium 4-(2-methoxy-2-oxoethyl)phenolate
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methyl 2-(4-aminophenyl)acetate;hydrochloride
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methyl 2-[4-[[4-(cyclohexylmethylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]acetate
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CID 10957066

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate?
The IUPAC name of methyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate (CID 70304157) is methyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate is COC(=O)Cc1ccc(Nc2ncsn2)cc1.
What is the InChIKey of methyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate?
The InChIKey is SXRNZRILDWJCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-16-10(15)6-8-2-4-9(5-3-8)13-11-12-7-17-14-11/h2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of methyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate?
methyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate has a molecular weight of 249.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1,2,4-thiadiazol-3-ylamino)phenyl]acetate is sourced from PubChem (CID 70304157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).