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

C11H11BrN2O2S — CID 71756591

IUPACethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide
SMILESBr.CCOC(=O)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C11H10N2O2S.BrH/c1-2-15-11(14)10-13-9(7-16-10)8-4-3-5-12-6-8;/h3-7H,2H2,1H3;1H
InChIKeyFYBZUZDXWJRXDR-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.96
Rot. Bonds3

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

ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide (PubChem CID 71756591) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide.

Molecular Properties

Compound Nameethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide
PubChem CID71756591
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Nameethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide
SMILESBr.CCOC(=O)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C11H10N2O2S.BrH/c1-2-15-11(14)10-13-9(7-16-10)8-4-3-5-12-6-8;/h3-7H,2H2,1H3;1H
InChIKeyFYBZUZDXWJRXDR-UHFFFAOYSA-N
XLogP2.96
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364490
ethyl 3-pyridin-3-yl-1H-1,2,4-triazole-5-carboxylate
CID 63381274
ethyl 3-oxo-3-(4-phenyl-1,3-thiazol-2-yl)propanoate;ethyl 4-phenyl-1,3-thiazole-2-carboxylate
CID 161224499
ethyl 4-(3,4-dichlorophenyl)-1,3-thiazole-2-carboxylate
CID 46242291
ethyl 4-(3-nitrophenyl)-1,3-thiazole-2-carboxylate
CID 10423662
ethyl 4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 22009789
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
ethyl 4-(3-methylthiophen-2-yl)-1,3-thiazole-2-carboxylate
CID 63992032
ethyl 4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carboxylate
CID 61385361
ethyl 4-(3-formyl-4-hydroxyphenyl)-1,3-thiazole-2-carboxylate
CID 175364501
ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 753891
ethyl 4-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110648887

Frequently Asked Questions

What is the IUPAC name of ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide?
The IUPAC name of ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide (CID 71756591) is ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide.
What is the SMILES notation for ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide?
The canonical SMILES for ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide is Br.CCOC(=O)c1nc(-c2cccnc2)cs1.
What is the InChIKey of ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide?
The InChIKey is FYBZUZDXWJRXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S.BrH/c1-2-15-11(14)10-13-9(7-16-10)8-4-3-5-12-6-8;/h3-7H,2H2,1H3;1H.
What are the key properties of ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide?
ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide has a molecular weight of 315.19 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide is sourced from PubChem (CID 71756591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).