ethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate

C6H9BrN2O2S — CID 67762035

IUPACethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)C1(N)NC=C(Br)S1
InChIInChI=1S/C6H9BrN2O2S/c1-2-11-5(10)6(8)9-3-4(7)12-6/h3,9H,2,8H2,1H3
InChIKeySWTJNRUREQVTCB-UHFFFAOYSA-N
MW253.12 g/mol
LogP0.69
Rot. Bonds2

About ethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate

ethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate (PubChem CID 67762035) has the molecular formula C6H9BrN2O2S and a molecular weight of 253.12 g/mol. Its IUPAC name is ethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate
PubChem CID67762035
Molecular FormulaC6H9BrN2O2S
Molecular Weight253.12 g/mol
Exact Mass251.96
IUPAC Nameethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)C1(N)NC=C(Br)S1
InChIInChI=1S/C6H9BrN2O2S/c1-2-11-5(10)6(8)9-3-4(7)12-6/h3,9H,2,8H2,1H3
InChIKeySWTJNRUREQVTCB-UHFFFAOYSA-N
XLogP0.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.12
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate (CID 67762035) is ethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate is CCOC(=O)C1(N)NC=C(Br)S1.
What is the InChIKey of ethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate?
The InChIKey is SWTJNRUREQVTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O2S/c1-2-11-5(10)6(8)9-3-4(7)12-6/h3,9H,2,8H2,1H3.
What are the key properties of ethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate?
ethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate has a molecular weight of 253.12 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-bromo-3H-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 67762035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).