methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate

C7H9N3O4S — CID 10198517

IUPACmethyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
SMILESCOC(=O)Cc1nsc(NC(=O)OC)n1
InChIInChI=1S/C7H9N3O4S/c1-13-5(11)3-4-8-6(15-10-4)9-7(12)14-2/h3H2,1-2H3,(H,8,9,10,12)
InChIKeyNCRMKDIALKPINM-UHFFFAOYSA-N
MW231.23 g/mol
LogP0.43
Rot. Bonds3

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

methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate (PubChem CID 10198517) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
PubChem CID10198517
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Namemethyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate
SMILESCOC(=O)Cc1nsc(NC(=O)OC)n1
InChIInChI=1S/C7H9N3O4S/c1-13-5(11)3-4-8-6(15-10-4)9-7(12)14-2/h3H2,1-2H3,(H,8,9,10,12)
InChIKeyNCRMKDIALKPINM-UHFFFAOYSA-N
XLogP0.43
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Related Compounds

ethyl N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]carbamate
CID 12368414
2-(5-{[(Tert-butoxy)carbonyl]amino}-1,2,4-thiadiazol-3-yl)acetic acid
CID 22124376
1,2,4-Thiadiazole-3-acetic acid, 5-[(ethoxycarbonyl)amino]-, methyl ester
CID 22726932
methyl (2Z)-2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methoxyiminoacetate
CID 10923744
Ethyl (5-amino-1,2,4-thiadiazol-3-yl)acetate
CID 13326900
Ethyl alpha-(5-t-butoxycarbonylamino-1,2,4-thiadiazol-3-yl)acetate
CID 20226075
Methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-methyliminoacetate
CID 21138975
methyl N-[3-(2-hydroxy-2-methoxyethyl)-1,2,4-thiadiazol-5-yl]carbamate
CID 21138976
Ethyl 2-(5-((ethoxycarbonyl)amino)-1,2,4-thiadiazol-3-yl)acetate
CID 21458503
Methyl 2-(5-((methoxycarbonyl)amino)-1,2,4-thiadiazol-3-yl)-2-oxoacetate
CID 21458511
methyl N-[3-(2-oxoethyl)-1,2,4-thiadiazol-5-yl]carbamate
CID 21458519
Methyl 2-[5-(2,2-dimethylpropanoylamino)-1,2,4-thiadiazol-3-yl]acetate
CID 21458527

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate?
The IUPAC name of methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate (CID 10198517) is methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate is COC(=O)Cc1nsc(NC(=O)OC)n1.
What is the InChIKey of methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate?
The InChIKey is NCRMKDIALKPINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-13-5(11)3-4-8-6(15-10-4)9-7(12)14-2/h3H2,1-2H3,(H,8,9,10,12).
What are the key properties of methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate?
methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate has a molecular weight of 231.23 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(methoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetate is sourced from PubChem (CID 10198517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).