methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate

C5H6N4O2S — CID 147112460

IUPACmethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate
SMILES[H]/N=C(\C(=O)OC)c1nsc(N)n1
InChIInChI=1S/C5H6N4O2S/c1-11-4(10)2(6)3-8-5(7)12-9-3/h6H,1H3,(H2,7,8,9)/b6-2-
InChIKeyBMTRZPFCXSOAKU-KXFIGUGUSA-N
MW186.20 g/mol
LogP-0.34
Rot. Bonds2

About methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate

methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate (PubChem CID 147112460) has the molecular formula C5H6N4O2S and a molecular weight of 186.20 g/mol. Its IUPAC name is methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate.

Molecular Properties

Compound Namemethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate
PubChem CID147112460
Molecular FormulaC5H6N4O2S
Molecular Weight186.20 g/mol
Exact Mass186.02
IUPAC Namemethyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate
SMILES[H]/N=C(\C(=O)OC)c1nsc(N)n1
InChIInChI=1S/C5H6N4O2S/c1-11-4(10)2(6)3-8-5(7)12-9-3/h6H,1H3,(H2,7,8,9)/b6-2-
InChIKeyBMTRZPFCXSOAKU-KXFIGUGUSA-N
XLogP-0.34
TPSA101.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate?
The IUPAC name of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate (CID 147112460) is methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate.
What is the SMILES notation for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate?
The canonical SMILES for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate is [H]/N=C(\C(=O)OC)c1nsc(N)n1.
What is the InChIKey of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate?
The InChIKey is BMTRZPFCXSOAKU-KXFIGUGUSA-N. The full InChI is InChI=1S/C5H6N4O2S/c1-11-4(10)2(6)3-8-5(7)12-9-3/h6H,1H3,(H2,7,8,9)/b6-2-.
What are the key properties of methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate?
methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate has a molecular weight of 186.20 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-iminoacetate is sourced from PubChem (CID 147112460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).