ethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate

C19H15N3O2S — CID 11617216

IUPACethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1
InChIInChI=1S/C19H15N3O2S/c1-2-24-19(23)18-22-16(11-25-18)15-10-21-17-14(15)8-13(9-20-17)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,20,21)
InChIKeyVFKCYCDUXDRXSE-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.53
Rot. Bonds4

About ethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate

ethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate (PubChem CID 11617216) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is ethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate
PubChem CID11617216
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Nameethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1
InChIInChI=1S/C19H15N3O2S/c1-2-24-19(23)18-22-16(11-25-18)15-10-21-17-14(15)8-13(9-20-17)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,20,21)
InChIKeyVFKCYCDUXDRXSE-UHFFFAOYSA-N
XLogP4.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate (CID 11617216) is ethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cs1.
What is the InChIKey of ethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate?
The InChIKey is VFKCYCDUXDRXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-2-24-19(23)18-22-16(11-25-18)15-10-21-17-14(15)8-13(9-20-17)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate?
ethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate has a molecular weight of 349.42 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 11617216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).