ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride

C8H15Cl2N3O2S — CID 138006954

IUPACethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride
SMILESCCOC(=O)c1nc(C(C)N)sc1N.Cl.Cl
InChIInChI=1S/C8H13N3O2S.2ClH/c1-3-13-8(12)5-6(10)14-7(11-5)4(2)9;;/h4H,3,9-10H2,1-2H3;2*1H
InChIKeySADQMPWLUBMQAG-UHFFFAOYSA-N
MW288.20 g/mol
LogP1.77
Rot. Bonds3

About ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride

ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride (PubChem CID 138006954) has the molecular formula C8H15Cl2N3O2S and a molecular weight of 288.20 g/mol. Its IUPAC name is ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride.

Molecular Properties

Compound Nameethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride
PubChem CID138006954
Molecular FormulaC8H15Cl2N3O2S
Molecular Weight288.20 g/mol
Exact Mass287.03
IUPAC Nameethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride
SMILESCCOC(=O)c1nc(C(C)N)sc1N.Cl.Cl
InChIInChI=1S/C8H13N3O2S.2ClH/c1-3-13-8(12)5-6(10)14-7(11-5)4(2)9;;/h4H,3,9-10H2,1-2H3;2*1H
InChIKeySADQMPWLUBMQAG-UHFFFAOYSA-N
XLogP1.77
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride?
The IUPAC name of ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride (CID 138006954) is ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride.
What is the SMILES notation for ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride?
The canonical SMILES for ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride is CCOC(=O)c1nc(C(C)N)sc1N.Cl.Cl.
What is the InChIKey of ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride?
The InChIKey is SADQMPWLUBMQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S.2ClH/c1-3-13-8(12)5-6(10)14-7(11-5)4(2)9;;/h4H,3,9-10H2,1-2H3;2*1H.
What are the key properties of ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride?
ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride has a molecular weight of 288.20 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate;dihydrochloride is sourced from PubChem (CID 138006954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).