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

C16H16FN3S — CID 141198055

IUPAC2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2cc(C)n(CCc3ccc(F)cc3)n2)n1
InChIInChI=1S/C16H16FN3S/c1-11-10-21-16(18-11)15-9-12(2)20(19-15)8-7-13-3-5-14(17)6-4-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyKPDAQAVYFXYPGQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.01
Rot. Bonds4

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

2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-4-methyl-1,3-thiazole (PubChem CID 141198055) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-4-methyl-1,3-thiazole
PubChem CID141198055
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC Name2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2cc(C)n(CCc3ccc(F)cc3)n2)n1
InChIInChI=1S/C16H16FN3S/c1-11-10-21-16(18-11)15-9-12(2)20(19-15)8-7-13-3-5-14(17)6-4-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyKPDAQAVYFXYPGQ-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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Related Compounds

5-(6-((2-Fluorobenzyl)thio)pyridazin-3-yl)-2,4-dimethylthiazole
CID 7207507
5-[1-[(4-Methylphenyl)methyl]-3-pyrazolyl]-2-phenylthiazole
CID 1476741
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
2-[3-Methyl-4-[[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]methyl]pyrazol-1-yl]ethanol
CID 56918678
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-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(1,3-thiazol-4-yl)ethanamine
CID 16191955
N-[(3-fluorophenyl)-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]acetamide
CID 49778128

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-4-methyl-1,3-thiazole (CID 141198055) is 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-4-methyl-1,3-thiazole is Cc1csc(-c2cc(C)n(CCc3ccc(F)cc3)n2)n1.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-4-methyl-1,3-thiazole?
The InChIKey is KPDAQAVYFXYPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-11-10-21-16(18-11)15-9-12(2)20(19-15)8-7-13-3-5-14(17)6-4-13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-4-methyl-1,3-thiazole?
2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-4-methyl-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-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 141198055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).