methyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate

C6H7N3O3S — CID 130666968

IUPACmethyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate
SMILESCNC(=O)c1nsnc1C(=O)OC
InChIInChI=1S/C6H7N3O3S/c1-7-5(10)3-4(6(11)12-2)9-13-8-3/h1-2H3,(H,7,10)
InChIKeyNZOLKTHXDOOWEZ-UHFFFAOYSA-N
MW201.21 g/mol
LogP-0.32
Rot. Bonds2

About methyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate

methyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate (PubChem CID 130666968) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is methyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate
PubChem CID130666968
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC Namemethyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate
SMILESCNC(=O)c1nsnc1C(=O)OC
InChIInChI=1S/C6H7N3O3S/c1-7-5(10)3-4(6(11)12-2)9-13-8-3/h1-2H3,(H,7,10)
InChIKeyNZOLKTHXDOOWEZ-UHFFFAOYSA-N
XLogP-0.32
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate?
The IUPAC name of methyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate (CID 130666968) is methyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate.
What is the SMILES notation for methyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate?
The canonical SMILES for methyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate is CNC(=O)c1nsnc1C(=O)OC.
What is the InChIKey of methyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate?
The InChIKey is NZOLKTHXDOOWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S/c1-7-5(10)3-4(6(11)12-2)9-13-8-3/h1-2H3,(H,7,10).
What are the key properties of methyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate?
methyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate has a molecular weight of 201.21 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methylcarbamoyl)-1,2,5-thiadiazole-3-carboxylate is sourced from PubChem (CID 130666968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).