ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide

C10H15BrN2O3S — CID 146083082

IUPACethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide
SMILESBr.CCOC(=O)c1csc(C2CNCCO2)n1
InChIInChI=1S/C10H14N2O3S.BrH/c1-2-14-10(13)7-6-16-9(12-7)8-5-11-3-4-15-8;/h6,8,11H,2-5H2,1H3;1H
InChIKeyWWYSFLJKLQQBCJ-UHFFFAOYSA-N
MW323.21 g/mol
LogP1.56
Rot. Bonds3

About ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide

ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide (PubChem CID 146083082) has the molecular formula C10H15BrN2O3S and a molecular weight of 323.21 g/mol. Its IUPAC name is ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide.

Molecular Properties

Compound Nameethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide
PubChem CID146083082
Molecular FormulaC10H15BrN2O3S
Molecular Weight323.21 g/mol
Exact Mass322.00
IUPAC Nameethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide
SMILESBr.CCOC(=O)c1csc(C2CNCCO2)n1
InChIInChI=1S/C10H14N2O3S.BrH/c1-2-14-10(13)7-6-16-9(12-7)8-5-11-3-4-15-8;/h6,8,11H,2-5H2,1H3;1H
InChIKeyWWYSFLJKLQQBCJ-UHFFFAOYSA-N
XLogP1.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 40611193
ethyl 2-(2,2-dimethylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 107925303
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950
ethyl 4-[(2S)-morpholin-2-yl]benzoate
CID 167721608
ethyl 2-[(4S)-4-acetylpyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 174443710
1-(2-morpholin-2-yl-1,3-thiazol-4-yl)imidazole-4-carboxylic acid
CID 166747002
ethane;2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 177183918
ethyl 2-[1-(2-amino-2-methylpropyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate;hydrochloride
CID 120857828
(2R)-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 177184063
(5-methyl-2-morpholin-2-yl-1,3-thiazol-4-yl)methanol
CID 175330057
2-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]morpholine
CID 114082858
ethyl 7-chloro-6-morpholin-2-yl-4-oxo-1H-quinoline-3-carboxylate
CID 174567558

Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide?
The IUPAC name of ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide (CID 146083082) is ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide.
What is the SMILES notation for ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide?
The canonical SMILES for ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide is Br.CCOC(=O)c1csc(C2CNCCO2)n1.
What is the InChIKey of ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide?
The InChIKey is WWYSFLJKLQQBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S.BrH/c1-2-14-10(13)7-6-16-9(12-7)8-5-11-3-4-15-8;/h6,8,11H,2-5H2,1H3;1H.
What are the key properties of ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide?
ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide has a molecular weight of 323.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-2-yl-1,3-thiazole-4-carboxylate;hydrobromide is sourced from PubChem (CID 146083082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).