4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole

C16H15F2N3S — CID 19589632

IUPAC4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3ccc(F)cc3F)cs2)n1
InChIInChI=1S/C16H15F2N3S/c1-10-7-11(2)21(20-10)6-5-16-19-15(9-22-16)13-4-3-12(17)8-14(13)18/h3-4,7-9H,5-6H2,1-2H3
InChIKeyYMYQHYFWPXCZAU-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.14
Rot. Bonds4

About 4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole

4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole (PubChem CID 19589632) has the molecular formula C16H15F2N3S and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
PubChem CID19589632
Molecular FormulaC16H15F2N3S
Molecular Weight319.38 g/mol
Exact Mass319.10
IUPAC Name4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3ccc(F)cc3F)cs2)n1
InChIInChI=1S/C16H15F2N3S/c1-10-7-11(2)21(20-10)6-5-16-19-15(9-22-16)13-4-3-12(17)8-14(13)18/h3-4,7-9H,5-6H2,1-2H3
InChIKeyYMYQHYFWPXCZAU-UHFFFAOYSA-N
XLogP4.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole (CID 19589632) is 4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole is Cc1cc(C)n(CCc2nc(-c3ccc(F)cc3F)cs2)n1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
The InChIKey is YMYQHYFWPXCZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3S/c1-10-7-11(2)21(20-10)6-5-16-19-15(9-22-16)13-4-3-12(17)8-14(13)18/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole?
4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole has a molecular weight of 319.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 19589632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).