2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole

C14H12ClN3OS — CID 175864904

IUPAC2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole
SMILESClc1ccc(COc2nc(C3=CCN=CC3)cs2)nc1
InChIInChI=1S/C14H12ClN3OS/c15-11-1-2-12(17-7-11)8-19-14-18-13(9-20-14)10-3-5-16-6-4-10/h1-3,6-7,9H,4-5,8H2
InChIKeyGFRGVXRQQVHQGF-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.63
Rot. Bonds4

About 2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole

2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole (PubChem CID 175864904) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole
PubChem CID175864904
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole
SMILESClc1ccc(COc2nc(C3=CCN=CC3)cs2)nc1
InChIInChI=1S/C14H12ClN3OS/c15-11-1-2-12(17-7-11)8-19-14-18-13(9-20-14)10-3-5-16-6-4-10/h1-3,6-7,9H,4-5,8H2
InChIKeyGFRGVXRQQVHQGF-UHFFFAOYSA-N
XLogP3.63
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole (CID 175864904) is 2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole is Clc1ccc(COc2nc(C3=CCN=CC3)cs2)nc1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole?
The InChIKey is GFRGVXRQQVHQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c15-11-1-2-12(17-7-11)8-19-14-18-13(9-20-14)10-3-5-16-6-4-10/h1-3,6-7,9H,4-5,8H2.
What are the key properties of 2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole?
2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole has a molecular weight of 305.79 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)methoxy]-4-(2,5-dihydropyridin-4-yl)-1,3-thiazole is sourced from PubChem (CID 175864904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).