ethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate

C20H17N3O3S — CID 123651714

IUPACethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate
SMILESCCOC(=O)n1c(O)cc2cc(-c3nc(-c4ccccn4)sc3C)ccc21
InChIInChI=1S/C20H17N3O3S/c1-3-26-20(25)23-16-8-7-13(10-14(16)11-17(23)24)18-12(2)27-19(22-18)15-6-4-5-9-21-15/h4-11,24H,3H2,1-2H3
InChIKeyMBOJEMLJUIUBOQ-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.85
Rot. Bonds3

About ethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate

ethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate (PubChem CID 123651714) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is ethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate
PubChem CID123651714
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Nameethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate
SMILESCCOC(=O)n1c(O)cc2cc(-c3nc(-c4ccccn4)sc3C)ccc21
InChIInChI=1S/C20H17N3O3S/c1-3-26-20(25)23-16-8-7-13(10-14(16)11-17(23)24)18-12(2)27-19(22-18)15-6-4-5-9-21-15/h4-11,24H,3H2,1-2H3
InChIKeyMBOJEMLJUIUBOQ-UHFFFAOYSA-N
XLogP4.85
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate?
The IUPAC name of ethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate (CID 123651714) is ethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate is CCOC(=O)n1c(O)cc2cc(-c3nc(-c4ccccn4)sc3C)ccc21.
What is the InChIKey of ethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate?
The InChIKey is MBOJEMLJUIUBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-3-26-20(25)23-16-8-7-13(10-14(16)11-17(23)24)18-12(2)27-19(22-18)15-6-4-5-9-21-15/h4-11,24H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate?
ethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate has a molecular weight of 379.44 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)indole-1-carboxylate is sourced from PubChem (CID 123651714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).