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

C11H10N2O2S — CID 14357969

IUPACethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C11H10N2O2S/c1-2-15-11(14)10-13-9(7-16-10)8-4-3-5-12-6-8/h3-7H,2H2,1H3
InChIKeyGJWZAEGHPYVLGW-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.38
Rot. Bonds3

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

ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate (PubChem CID 14357969) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate
PubChem CID14357969
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Nameethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C11H10N2O2S/c1-2-15-11(14)10-13-9(7-16-10)8-4-3-5-12-6-8/h3-7H,2H2,1H3
InChIKeyGJWZAEGHPYVLGW-UHFFFAOYSA-N
XLogP2.38
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Methyl-1,3-thiazol-2-yl)pyridine
CID 1201554
2-Methyl-4-(3-pyridyl)thiazole
CID 600616
2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 716091
(E)-3-[2-(2-methyl-4-thiazolyl)vinyl]pyridine
CID 11715388
Ethyl (1,3)thiazolo(5,4-b)pyridine-2-carboxylate
CID 65335468
2-(3-Pyridyl)thiazole-4-carboxylic acid
CID 736513
Ethyl 2-[5-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-4-carboxylate
CID 2746007
Morpholin-4-yl-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 23467920
[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]methanol
CID 39238577
2-(Pyridin-3-Yl)-1,3-Thiazole-4-Carbaldehyde
CID 18913501
(2-Pyridin-3-yl-1,3-thiazol-4-yl)methanol
CID 4961264
Ethyl 2-oxo-2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]acetate
CID 13177646

Frequently Asked Questions

What is the IUPAC name of ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate (CID 14357969) is ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2cccnc2)cs1.
What is the InChIKey of ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate?
The InChIKey is GJWZAEGHPYVLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-2-15-11(14)10-13-9(7-16-10)8-4-3-5-12-6-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate?
ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate has a molecular weight of 234.28 g/mol, XLogP of 2.38, 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 is sourced from PubChem (CID 14357969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).