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

Name: Ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₆H₁₀ClN₃O₂S — CID 146082356

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride
PubChem CID	146082356
Molecular Formula	C₆H₁₀ClN₃O₂S
Molecular Weight	223.68 g/mol
Exact Mass	223.02
IUPAC Name	ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride
SMILES	CCOC(=O)c1nnc(CN)s1.Cl
InChI	InChI=1S/C6H9N3O2S.ClH/c1-2-11-6(10)5-9-8-4(3-7)12-5;/h2-3,7H2,1H3;1H
InChIKey	FDGMONRRJFSKNS-UHFFFAOYSA-N
XLogP	0.60
TPSA	78.10 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.68
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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).

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Sources

PubChem CID 146082356 — identifiers, structure, computed properties (public domain)

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