2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole

C12H10N4OS — CID 50940475

IUPAC2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole
SMILESCc1cccc(Oc2nc(-c3cn[nH]c3)cs2)n1
InChIInChI=1S/C12H10N4OS/c1-8-3-2-4-11(15-8)17-12-16-10(7-18-12)9-5-13-14-6-9/h2-7H,1H3,(H,13,14)
InChIKeyOBHLYMZGADQVNE-UHFFFAOYSA-N
MW258.31 g/mol
LogP3.03
Rot. Bonds3

About 2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole

2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole (PubChem CID 50940475) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole
PubChem CID50940475
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole
SMILESCc1cccc(Oc2nc(-c3cn[nH]c3)cs2)n1
InChIInChI=1S/C12H10N4OS/c1-8-3-2-4-11(15-8)17-12-16-10(7-18-12)9-5-13-14-6-9/h2-7H,1H3,(H,13,14)
InChIKeyOBHLYMZGADQVNE-UHFFFAOYSA-N
XLogP3.03
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole (CID 50940475) is 2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole is Cc1cccc(Oc2nc(-c3cn[nH]c3)cs2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole?
The InChIKey is OBHLYMZGADQVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-8-3-2-4-11(15-8)17-12-16-10(7-18-12)9-5-13-14-6-9/h2-7H,1H3,(H,13,14).
What are the key properties of 2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole?
2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole has a molecular weight of 258.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)oxy]-4-(1H-pyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 50940475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).