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

C16H15N3S — CID 118709529

IUPAC2-(2-propyl-4-pyridinyl)-4-pyridin-2-yl-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccccn3)cs2)ccn1
InChIInChI=1S/C16H15N3S/c1-2-5-13-10-12(7-9-17-13)16-19-15(11-20-16)14-6-3-4-8-18-14/h3-4,6-11H,2,5H2,1H3
InChIKeyHUQGPNIOCHMGOQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.22
Rot. Bonds4

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

2-(2-propyl-4-pyridinyl)-4-pyridin-2-yl-1,3-thiazole (PubChem CID 118709529) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(2-propyl-4-pyridinyl)-4-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-propyl-4-pyridinyl)-4-pyridin-2-yl-1,3-thiazole
PubChem CID118709529
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name2-(2-propyl-4-pyridinyl)-4-pyridin-2-yl-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3ccccn3)cs2)ccn1
InChIInChI=1S/C16H15N3S/c1-2-5-13-10-12(7-9-17-13)16-19-15(11-20-16)14-6-3-4-8-18-14/h3-4,6-11H,2,5H2,1H3
InChIKeyHUQGPNIOCHMGOQ-UHFFFAOYSA-N
XLogP4.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-4-pyridinyl)-4-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 2-(2-propyl-4-pyridinyl)-4-pyridin-2-yl-1,3-thiazole (CID 118709529) is 2-(2-propyl-4-pyridinyl)-4-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(2-propyl-4-pyridinyl)-4-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 2-(2-propyl-4-pyridinyl)-4-pyridin-2-yl-1,3-thiazole is CCCc1cc(-c2nc(-c3ccccn3)cs2)ccn1.
What is the InChIKey of 2-(2-propyl-4-pyridinyl)-4-pyridin-2-yl-1,3-thiazole?
The InChIKey is HUQGPNIOCHMGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-5-13-10-12(7-9-17-13)16-19-15(11-20-16)14-6-3-4-8-18-14/h3-4,6-11H,2,5H2,1H3.
What are the key properties of 2-(2-propyl-4-pyridinyl)-4-pyridin-2-yl-1,3-thiazole?
2-(2-propyl-4-pyridinyl)-4-pyridin-2-yl-1,3-thiazole has a molecular weight of 281.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-4-pyridinyl)-4-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 118709529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).