2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole

C16H13F4N3S — CID 141198043

IUPAC2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2cc(C(F)(F)F)n(CCc3ccc(F)cc3)n2)n1
InChIInChI=1S/C16H13F4N3S/c1-10-9-24-15(21-10)13-8-14(16(18,19)20)23(22-13)7-6-11-2-4-12(17)5-3-11/h2-5,8-9H,6-7H2,1H3
InChIKeyWLHZNQGLCONYFG-UHFFFAOYSA-N
MW355.36 g/mol
LogP4.72
Rot. Bonds4

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

2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole (PubChem CID 141198043) has the molecular formula C16H13F4N3S and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole
PubChem CID141198043
Molecular FormulaC16H13F4N3S
Molecular Weight355.36 g/mol
Exact Mass355.08
IUPAC Name2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2cc(C(F)(F)F)n(CCc3ccc(F)cc3)n2)n1
InChIInChI=1S/C16H13F4N3S/c1-10-9-24-15(21-10)13-8-14(16(18,19)20)23(22-13)7-6-11-2-4-12(17)5-3-11/h2-5,8-9H,6-7H2,1H3
InChIKeyWLHZNQGLCONYFG-UHFFFAOYSA-N
XLogP4.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(6-((2-Fluorobenzyl)thio)pyridazin-3-yl)-2,4-dimethylthiazole
CID 7207507
5-[1-[(4-Fluorophenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476746
5-(1-benzyl-1H-pyrazol-3-yl)-2-phenyl-1,3-thiazole
CID 1476747
2-[2-(3,5-Dimethylpyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 2327977
4-methyl-5-(1-methyl-1H-pyrazol-5-yl)-2-phenyl-1,3-thiazole
CID 2768051
CID 15944745
CID 15944745
5-(6-((3-Fluorobenzyl)thio)pyridazin-3-yl)-2,4-dimethylthiazole
CID 7207506
4-(4-Tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2370269
N-[(3-fluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide
CID 49778128
N-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53554686
5-[4-(4-Fluorophenyl)-2-thiazolyl]-4-methyl-1,2,3-thiadiazole
CID 2804343
2-(3-{1-[2-(1-pyrrolidinyl)ethyl]-1H-pyrazol-3-yl}phenyl)-1,3-thiazole
CID 28850143

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole (CID 141198043) is 2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole is Cc1csc(-c2cc(C(F)(F)F)n(CCc3ccc(F)cc3)n2)n1.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole?
The InChIKey is WLHZNQGLCONYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N3S/c1-10-9-24-15(21-10)13-8-14(16(18,19)20)23(22-13)7-6-11-2-4-12(17)5-3-11/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole?
2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole has a molecular weight of 355.36 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)ethyl]-5-(trifluoromethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 141198043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).