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

C16H16FN3S — CID 2327977

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3ccc(F)cc3)cs2)n1
InChIInChI=1S/C16H16FN3S/c1-11-9-12(2)20(19-11)8-7-16-18-15(10-21-16)13-3-5-14(17)6-4-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyWXMUNVSKQFXTDG-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.01
Rot. Bonds4

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

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 2327977) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID2327977
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESCc1cc(C)n(CCc2nc(-c3ccc(F)cc3)cs2)n1
InChIInChI=1S/C16H16FN3S/c1-11-9-12(2)20(19-11)8-7-16-18-15(10-21-16)13-3-5-14(17)6-4-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyWXMUNVSKQFXTDG-UHFFFAOYSA-N
XLogP4.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole (CID 2327977) is 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole is Cc1cc(C)n(CCc2nc(-c3ccc(F)cc3)cs2)n1.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole?
The InChIKey is WXMUNVSKQFXTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-11-9-12(2)20(19-11)8-7-16-18-15(10-21-16)13-3-5-14(17)6-4-13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole?
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 301.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 2327977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).