ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide

C7H11BrN2O2S — CID 118010575

IUPACethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide
SMILESBr.CCOC(=O)c1nc(N)sc1C
InChIInChI=1S/C7H10N2O2S.BrH/c1-3-11-6(10)5-4(2)12-7(8)9-5;/h3H2,1-2H3,(H2,8,9);1H
InChIKeyTVFMXBVAGQYXQC-UHFFFAOYSA-N
MW267.15 g/mol
LogP1.79
Rot. Bonds2

About ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide

ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide (PubChem CID 118010575) has the molecular formula C7H11BrN2O2S and a molecular weight of 267.15 g/mol. Its IUPAC name is ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide.

Molecular Properties

Compound Nameethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide
PubChem CID118010575
Molecular FormulaC7H11BrN2O2S
Molecular Weight267.15 g/mol
Exact Mass265.97
IUPAC Nameethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide
SMILESBr.CCOC(=O)c1nc(N)sc1C
InChIInChI=1S/C7H10N2O2S.BrH/c1-3-11-6(10)5-4(2)12-7(8)9-5;/h3H2,1-2H3,(H2,8,9);1H
InChIKeyTVFMXBVAGQYXQC-UHFFFAOYSA-N
XLogP1.79
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide?
The IUPAC name of ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide (CID 118010575) is ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide.
What is the SMILES notation for ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide?
The canonical SMILES for ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide is Br.CCOC(=O)c1nc(N)sc1C.
What is the InChIKey of ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide?
The InChIKey is TVFMXBVAGQYXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.BrH/c1-3-11-6(10)5-4(2)12-7(8)9-5;/h3H2,1-2H3,(H2,8,9);1H.
What are the key properties of ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide?
ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide has a molecular weight of 267.15 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate;hydrobromide is sourced from PubChem (CID 118010575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).