2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole

C12H7F2N3OS — CID 50940354

IUPAC2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole
SMILESFc1cccc(F)c1Oc1nc(-c2cn[nH]c2)cs1
InChIInChI=1S/C12H7F2N3OS/c13-8-2-1-3-9(14)11(8)18-12-17-10(6-19-12)7-4-15-16-5-7/h1-6H,(H,15,16)
InChIKeyDCVQWGJVYYKQPW-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.60
Rot. Bonds3

About 2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole

2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole (PubChem CID 50940354) has the molecular formula C12H7F2N3OS and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole
PubChem CID50940354
Molecular FormulaC12H7F2N3OS
Molecular Weight279.27 g/mol
Exact Mass279.03
IUPAC Name2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole
SMILESFc1cccc(F)c1Oc1nc(-c2cn[nH]c2)cs1
InChIInChI=1S/C12H7F2N3OS/c13-8-2-1-3-9(14)11(8)18-12-17-10(6-19-12)7-4-15-16-5-7/h1-6H,(H,15,16)
InChIKeyDCVQWGJVYYKQPW-UHFFFAOYSA-N
XLogP3.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole (CID 50940354) is 2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole is Fc1cccc(F)c1Oc1nc(-c2cn[nH]c2)cs1.
What is the InChIKey of 2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole?
The InChIKey is DCVQWGJVYYKQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3OS/c13-8-2-1-3-9(14)11(8)18-12-17-10(6-19-12)7-4-15-16-5-7/h1-6H,(H,15,16).
What are the key properties of 2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole?
2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole has a molecular weight of 279.27 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenoxy)-4-(1H-pyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 50940354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).