methyl 2-amino-2-(thiadiazol-4-yl)acetate

C5H7N3O2S — CID 130592471

IUPACmethyl 2-amino-2-(thiadiazol-4-yl)acetate
SMILESCOC(=O)C(N)c1csnn1
InChIInChI=1S/C5H7N3O2S/c1-10-5(9)4(6)3-2-11-8-7-3/h2,4H,6H2,1H3
InChIKeyRWGKCPXAHQCIBN-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.29
Rot. Bonds2

About methyl 2-amino-2-(thiadiazol-4-yl)acetate

methyl 2-amino-2-(thiadiazol-4-yl)acetate (PubChem CID 130592471) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is methyl 2-amino-2-(thiadiazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(thiadiazol-4-yl)acetate
PubChem CID130592471
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Namemethyl 2-amino-2-(thiadiazol-4-yl)acetate
SMILESCOC(=O)C(N)c1csnn1
InChIInChI=1S/C5H7N3O2S/c1-10-5(9)4(6)3-2-11-8-7-3/h2,4H,6H2,1H3
InChIKeyRWGKCPXAHQCIBN-UHFFFAOYSA-N
XLogP-0.29
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-(thiadiazol-4-yl)acetamide
CID 54299066
2-amino-2-(thiadiazol-4-yl)acetyl chloride
CID 54382570
(2S)-2-amino-N-[1-(thiadiazol-4-yl)ethyl]propanamide
CID 131014905
2-amino-1-(thiadiazol-4-yl)propan-1-ol
CID 130592484
tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate
CID 130913963
methyl (2R)-2-amino-2-pyridin-2-ylacetate
CID 86316521
N-methyl-2-phenoxy-2-(thiadiazol-4-yl)acetamide
CID 23248313
methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate
CID 131354217
methyl 2-amino-2-(6-chloro-2-pyridinyl)acetate
CID 130119542
4-methylthiadiazole;urea
CID 158551182
methyl (2R)-2-amino-2-quinolin-2-ylacetate
CID 131435940
methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate
CID 130055189

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(thiadiazol-4-yl)acetate?
The IUPAC name of methyl 2-amino-2-(thiadiazol-4-yl)acetate (CID 130592471) is methyl 2-amino-2-(thiadiazol-4-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(thiadiazol-4-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(thiadiazol-4-yl)acetate is COC(=O)C(N)c1csnn1.
What is the InChIKey of methyl 2-amino-2-(thiadiazol-4-yl)acetate?
The InChIKey is RWGKCPXAHQCIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-10-5(9)4(6)3-2-11-8-7-3/h2,4H,6H2,1H3.
What are the key properties of methyl 2-amino-2-(thiadiazol-4-yl)acetate?
methyl 2-amino-2-(thiadiazol-4-yl)acetate has a molecular weight of 173.20 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(thiadiazol-4-yl)acetate is sourced from PubChem (CID 130592471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).