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

C15H14N2S2 — CID 19591131

IUPAC2-(2-propyl-4-pyridinyl)-4-thiophen-2-yl-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3cccs3)cs2)ccn1
InChIInChI=1S/C15H14N2S2/c1-2-4-12-9-11(6-7-16-12)15-17-13(10-19-15)14-5-3-8-18-14/h3,5-10H,2,4H2,1H3
InChIKeyOHCBMYMUPIIOHV-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.89
Rot. Bonds4

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

2-(2-propyl-4-pyridinyl)-4-thiophen-2-yl-1,3-thiazole (PubChem CID 19591131) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 2-(2-propyl-4-pyridinyl)-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-propyl-4-pyridinyl)-4-thiophen-2-yl-1,3-thiazole
PubChem CID19591131
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name2-(2-propyl-4-pyridinyl)-4-thiophen-2-yl-1,3-thiazole
SMILESCCCc1cc(-c2nc(-c3cccs3)cs2)ccn1
InChIInChI=1S/C15H14N2S2/c1-2-4-12-9-11(6-7-16-12)15-17-13(10-19-15)14-5-3-8-18-14/h3,5-10H,2,4H2,1H3
InChIKeyOHCBMYMUPIIOHV-UHFFFAOYSA-N
XLogP4.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.89
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-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 2-(2-propyl-4-pyridinyl)-4-thiophen-2-yl-1,3-thiazole (CID 19591131) is 2-(2-propyl-4-pyridinyl)-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(2-propyl-4-pyridinyl)-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 2-(2-propyl-4-pyridinyl)-4-thiophen-2-yl-1,3-thiazole is CCCc1cc(-c2nc(-c3cccs3)cs2)ccn1.
What is the InChIKey of 2-(2-propyl-4-pyridinyl)-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is OHCBMYMUPIIOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-2-4-12-9-11(6-7-16-12)15-17-13(10-19-15)14-5-3-8-18-14/h3,5-10H,2,4H2,1H3.
What are the key properties of 2-(2-propyl-4-pyridinyl)-4-thiophen-2-yl-1,3-thiazole?
2-(2-propyl-4-pyridinyl)-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 286.43 g/mol, XLogP of 4.89, 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-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 19591131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).