4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole

C15H13N3OS — CID 57400012

IUPAC4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole
SMILESCCOc1ccc(-c2csc(-c3ccncc3)n2)cn1
InChIInChI=1S/C15H13N3OS/c1-2-19-14-4-3-12(9-17-14)13-10-20-15(18-13)11-5-7-16-8-6-11/h3-10H,2H2,1H3
InChIKeyHMVDBEYZQDVLSY-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.67
Rot. Bonds4

About 4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole

4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 57400012) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID57400012
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole
SMILESCCOc1ccc(-c2csc(-c3ccncc3)n2)cn1
InChIInChI=1S/C15H13N3OS/c1-2-19-14-4-3-12(9-17-14)13-10-20-15(18-13)11-5-7-16-8-6-11/h3-10H,2H2,1H3
InChIKeyHMVDBEYZQDVLSY-UHFFFAOYSA-N
XLogP3.67
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole (CID 57400012) is 4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole is CCOc1ccc(-c2csc(-c3ccncc3)n2)cn1.
What is the InChIKey of 4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is HMVDBEYZQDVLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-2-19-14-4-3-12(9-17-14)13-10-20-15(18-13)11-5-7-16-8-6-11/h3-10H,2H2,1H3.
What are the key properties of 4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole?
4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 283.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 57400012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).