ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate

C12H13N3O2S — CID 45482820

IUPACethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(N)c2ccccc2n1
InChIInChI=1S/C12H13N3O2S/c1-2-17-10(16)7-18-12-14-9-6-4-3-5-8(9)11(13)15-12/h3-6H,2,7H2,1H3,(H2,13,14,15)
InChIKeyWFTSGZYZIDLQKL-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.87
Rot. Bonds4

About ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate

ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate (PubChem CID 45482820) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate
PubChem CID45482820
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Nameethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(N)c2ccccc2n1
InChIInChI=1S/C12H13N3O2S/c1-2-17-10(16)7-18-12-14-9-6-4-3-5-8(9)11(13)15-12/h3-6H,2,7H2,1H3,(H2,13,14,15)
InChIKeyWFTSGZYZIDLQKL-UHFFFAOYSA-N
XLogP1.87
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-ethoxy-2-oxoethyl)sulfanylquinoline-4-carboxylate
CID 5067222
ethyl 2-[(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)sulfanyl]acetate
CID 67263274
ethyl 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylacetate
CID 3592298
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947
1-(2-ethoxy-2-oxoethyl)sulfanylisoquinoline-3-carboxylic acid
CID 43618238
ethyl 2-[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]acetate
CID 2963012
ethyl 4-[[2-(4-methylquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 3312624
CID 171642087
CID 171642087
ethyl 2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetate
CID 2618905
ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate
CID 4283909
ethyl 2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
CID 3244188
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate (CID 45482820) is ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate is CCOC(=O)CSc1nc(N)c2ccccc2n1.
What is the InChIKey of ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate?
The InChIKey is WFTSGZYZIDLQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-17-10(16)7-18-12-14-9-6-4-3-5-8(9)11(13)15-12/h3-6H,2,7H2,1H3,(H2,13,14,15).
What are the key properties of ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate?
ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate has a molecular weight of 263.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminoquinazolin-2-yl)sulfanylacetate is sourced from PubChem (CID 45482820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).