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

C16H14F3N3S — CID 141198053

IUPAC4-methyl-2-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole
SMILESCc1csc(-c2cc(C)n(Cc3ccc(C(F)(F)F)cc3)n2)n1
InChIInChI=1S/C16H14F3N3S/c1-10-9-23-15(20-10)14-7-11(2)22(21-14)8-12-3-5-13(6-4-12)16(17,18)19/h3-7,9H,8H2,1-2H3
InChIKeyVBIZOOKWAWOPRQ-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.69
Rot. Bonds3

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

4-methyl-2-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole (PubChem CID 141198053) has the molecular formula C16H14F3N3S and a molecular weight of 337.37 g/mol. Its IUPAC name is 4-methyl-2-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole
PubChem CID141198053
Molecular FormulaC16H14F3N3S
Molecular Weight337.37 g/mol
Exact Mass337.09
IUPAC Name4-methyl-2-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole
SMILESCc1csc(-c2cc(C)n(Cc3ccc(C(F)(F)F)cc3)n2)n1
InChIInChI=1S/C16H14F3N3S/c1-10-9-23-15(20-10)14-7-11(2)22(21-14)8-12-3-5-13(6-4-12)16(17,18)19/h3-7,9H,8H2,1-2H3
InChIKeyVBIZOOKWAWOPRQ-UHFFFAOYSA-N
XLogP4.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.69
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-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 45588555
4-(4-Tert-butylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2370269
N-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53554686

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole (CID 141198053) is 4-methyl-2-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole is Cc1csc(-c2cc(C)n(Cc3ccc(C(F)(F)F)cc3)n2)n1.
What is the InChIKey of 4-methyl-2-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole?
The InChIKey is VBIZOOKWAWOPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3S/c1-10-9-23-15(20-10)14-7-11(2)22(21-14)8-12-3-5-13(6-4-12)16(17,18)19/h3-7,9H,8H2,1-2H3.
What are the key properties of 4-methyl-2-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole?
4-methyl-2-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole has a molecular weight of 337.37 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 141198053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).