5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole

C17H17N3OS — CID 118709681

IUPAC5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2ncc(-c3ccnc(OC)c3)s2)ccn1
InChIInChI=1S/C17H17N3OS/c1-3-4-14-9-13(6-7-18-14)17-20-11-15(22-17)12-5-8-19-16(10-12)21-2/h5-11H,3-4H2,1-2H3
InChIKeyYOPYEAIYOZCETJ-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.23
Rot. Bonds5

About 5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole

5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole (PubChem CID 118709681) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
PubChem CID118709681
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2ncc(-c3ccnc(OC)c3)s2)ccn1
InChIInChI=1S/C17H17N3OS/c1-3-4-14-9-13(6-7-18-14)17-20-11-15(22-17)12-5-8-19-16(10-12)21-2/h5-11H,3-4H2,1-2H3
InChIKeyYOPYEAIYOZCETJ-UHFFFAOYSA-N
XLogP4.23
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole (CID 118709681) is 5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole is CCCc1cc(-c2ncc(-c3ccnc(OC)c3)s2)ccn1.
What is the InChIKey of 5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is YOPYEAIYOZCETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-3-4-14-9-13(6-7-18-14)17-20-11-15(22-17)12-5-8-19-16(10-12)21-2/h5-11H,3-4H2,1-2H3.
What are the key properties of 5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 311.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 118709681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).