(2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate

C6H7BrN2O3S — CID 22925668

IUPAC(2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate
SMILESCCOC(=O)Oc1nc(N)sc1Br
InChIInChI=1S/C6H7BrN2O3S/c1-2-11-6(10)12-4-3(7)13-5(8)9-4/h2H2,1H3,(H2,8,9)
InChIKeyYNURZOOWMBFYDH-UHFFFAOYSA-N
MW267.10 g/mol
LogP2.02
Rot. Bonds2

About (2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate

(2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate (PubChem CID 22925668) has the molecular formula C6H7BrN2O3S and a molecular weight of 267.10 g/mol. Its IUPAC name is (2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate.

Molecular Properties

Compound Name(2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate
PubChem CID22925668
Molecular FormulaC6H7BrN2O3S
Molecular Weight267.10 g/mol
Exact Mass265.94
IUPAC Name(2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate
SMILESCCOC(=O)Oc1nc(N)sc1Br
InChIInChI=1S/C6H7BrN2O3S/c1-2-11-6(10)12-4-3(7)13-5(8)9-4/h2H2,1H3,(H2,8,9)
InChIKeyYNURZOOWMBFYDH-UHFFFAOYSA-N
XLogP2.02
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-bromo-2-methylpyrimidin-4-yl) ethyl carbonate
CID 23177790
(5,6-diamino-2-ethoxycarbonyloxy-3-pyridinyl) ethyl carbonate
CID 22363959
ethyl 2-(2-amino-5-methyl-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
CID 173275185
(4-carboxyoxy-1,2,5-oxadiazol-3-yl) ethyl carbonate
CID 70527253
(6-chloro-5-fluoro-2-methylpyrimidin-4-yl) ethyl carbonate
CID 23177802
ethyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate
CID 59291239
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337
bis(diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate);hydrate
CID 139067638
methyl 2-amino-4-propanoyloxy-1,3-thiazole-5-carboxylate
CID 175245711
ethyl 5-bromo-2-iodo-1,3-thiazole-4-carboxylate
CID 91903052
ethyl [5-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazol-4-yl] carbonate
CID 69374326
ethyl 2-amino-5-ethynyl-1,3-thiazole-4-carboxylate
CID 86609812

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate?
The IUPAC name of (2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate (CID 22925668) is (2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate.
What is the SMILES notation for (2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate?
The canonical SMILES for (2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate is CCOC(=O)Oc1nc(N)sc1Br.
What is the InChIKey of (2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate?
The InChIKey is YNURZOOWMBFYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O3S/c1-2-11-6(10)12-4-3(7)13-5(8)9-4/h2H2,1H3,(H2,8,9).
What are the key properties of (2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate?
(2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate has a molecular weight of 267.10 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-1,3-thiazol-4-yl) ethyl carbonate is sourced from PubChem (CID 22925668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).