methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate

C10H11N5O2S2 — CID 139230770

IUPACmethyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
SMILESCOC(=O)CSc1nnc(-c2cnc(C)nc2N)s1
InChIInChI=1S/C10H11N5O2S2/c1-5-12-3-6(8(11)13-5)9-14-15-10(19-9)18-4-7(16)17-2/h3H,4H2,1-2H3,(H2,11,12,13)
InChIKeyRFGSCSNSDUVGJC-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.15
Rot. Bonds4

About methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate

methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate (PubChem CID 139230770) has the molecular formula C10H11N5O2S2 and a molecular weight of 297.37 g/mol. Its IUPAC name is methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
PubChem CID139230770
Molecular FormulaC10H11N5O2S2
Molecular Weight297.37 g/mol
Exact Mass297.04
IUPAC Namemethyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
SMILESCOC(=O)CSc1nnc(-c2cnc(C)nc2N)s1
InChIInChI=1S/C10H11N5O2S2/c1-5-12-3-6(8(11)13-5)9-14-15-10(19-9)18-4-7(16)17-2/h3H,4H2,1-2H3,(H2,11,12,13)
InChIKeyRFGSCSNSDUVGJC-UHFFFAOYSA-N
XLogP1.15
TPSA103.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The IUPAC name of methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate (CID 139230770) is methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is COC(=O)CSc1nnc(-c2cnc(C)nc2N)s1.
What is the InChIKey of methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The InChIKey is RFGSCSNSDUVGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S2/c1-5-12-3-6(8(11)13-5)9-14-15-10(19-9)18-4-7(16)17-2/h3H,4H2,1-2H3,(H2,11,12,13).
What are the key properties of methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate has a molecular weight of 297.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 139230770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).