ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride

C6H10ClN3O2S — CID 146082356

IUPACethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1nnc(CN)s1.Cl
InChIInChI=1S/C6H9N3O2S.ClH/c1-2-11-6(10)5-9-8-4(3-7)12-5;/h2-3,7H2,1H3;1H
InChIKeyFDGMONRRJFSKNS-UHFFFAOYSA-N
MW223.68 g/mol
LogP0.60
Rot. Bonds3

About ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride

ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride (PubChem CID 146082356) has the molecular formula C6H10ClN3O2S and a molecular weight of 223.68 g/mol. Its IUPAC name is ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride
PubChem CID146082356
Molecular FormulaC6H10ClN3O2S
Molecular Weight223.68 g/mol
Exact Mass223.02
IUPAC Nameethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1nnc(CN)s1.Cl
InChIInChI=1S/C6H9N3O2S.ClH/c1-2-11-6(10)5-9-8-4(3-7)12-5;/h2-3,7H2,1H3;1H
InChIKeyFDGMONRRJFSKNS-UHFFFAOYSA-N
XLogP0.60
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-propan-2-yl-1,3,4-thiadiazole-2-carboxylate
CID 59459549
ethyl 5-(4-methylsulfonyloxybutyl)-1,3,4-thiadiazole-2-carboxylate
CID 118622139
ethyl 5-[(2-methylpropan-2-yl)oxy]-1,3,4-thiadiazole-2-carboxylate
CID 80604960
ethyl 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole-2-carboxylate
CID 80605209
ethyl 5-pent-1-ynyl-1,3,4-thiadiazole-2-carboxylate
CID 90325889
ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71697793
ethyl 5-[2-(2-methoxyethoxy)ethoxy]-1,3,4-thiadiazole-2-carboxylate
CID 113426788
ethyl 5-(4-methylcyclohexyl)oxy-1,3,4-thiadiazole-2-carboxylate
CID 80613049
ethyl 5-(1-ethoxypropan-2-yloxy)-1,3,4-thiadiazole-2-carboxylate
CID 103487209
ethyl 5-(5-thiophen-2-ylthiophen-2-yl)-1,3,4-thiadiazole-2-carboxylate
CID 66647225
ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate
CID 15691762
(5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
CID 11615231

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride (CID 146082356) is ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride is CCOC(=O)c1nnc(CN)s1.Cl.
What is the InChIKey of ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride?
The InChIKey is FDGMONRRJFSKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S.ClH/c1-2-11-6(10)5-9-8-4(3-7)12-5;/h2-3,7H2,1H3;1H.
What are the key properties of ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride?
ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride has a molecular weight of 223.68 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride is sourced from PubChem (CID 146082356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).