4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole

C18H19N3OS — CID 118709533

IUPAC4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccnc(OCC)c3)cs2)ccn1
InChIInChI=1S/C18H19N3OS/c1-3-5-15-10-14(7-8-19-15)18-21-16(12-23-18)13-6-9-20-17(11-13)22-4-2/h6-12H,3-5H2,1-2H3
InChIKeyFUCCBKSGPPIVBR-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.62
Rot. Bonds6

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

4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole (PubChem CID 118709533) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
PubChem CID118709533
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccnc(OCC)c3)cs2)ccn1
InChIInChI=1S/C18H19N3OS/c1-3-5-15-10-14(7-8-19-15)18-21-16(12-23-18)13-6-9-20-17(11-13)22-4-2/h6-12H,3-5H2,1-2H3
InChIKeyFUCCBKSGPPIVBR-UHFFFAOYSA-N
XLogP4.62
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole (CID 118709533) is 4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole is CCCc1cc(-c2nc(-c3ccnc(OCC)c3)cs2)ccn1.
What is the InChIKey of 4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is FUCCBKSGPPIVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-3-5-15-10-14(7-8-19-15)18-21-16(12-23-18)13-6-9-20-17(11-13)22-4-2/h6-12H,3-5H2,1-2H3.
What are the key properties of 4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole?
4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 325.44 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-4-pyridinyl)-2-(2-propyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 118709533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).