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

C19H14F3N5S2 — CID 3784881

IUPAC4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole
SMILESCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1csc(-c2cccnc2)n1
InChIInChI=1S/C19H14F3N5S2/c1-27-16(15-11-28-17(24-15)13-3-2-8-23-9-13)25-26-18(27)29-10-12-4-6-14(7-5-12)19(20,21)22/h2-9,11H,10H2,1H3
InChIKeyYBYRZINDJKLMJP-UHFFFAOYSA-N
MW433.48 g/mol
LogP5.31
Rot. Bonds5

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

4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole (PubChem CID 3784881) has the molecular formula C19H14F3N5S2 and a molecular weight of 433.48 g/mol. Its IUPAC name is 4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole
PubChem CID3784881
Molecular FormulaC19H14F3N5S2
Molecular Weight433.48 g/mol
Exact Mass433.06
IUPAC Name4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole
SMILESCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1csc(-c2cccnc2)n1
InChIInChI=1S/C19H14F3N5S2/c1-27-16(15-11-28-17(24-15)13-3-2-8-23-9-13)25-26-18(27)29-10-12-4-6-14(7-5-12)19(20,21)22/h2-9,11H,10H2,1H3
InChIKeyYBYRZINDJKLMJP-UHFFFAOYSA-N
XLogP5.31
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.48
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole with MolForge

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Related Compounds

3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 865925
4-[4-methyl-5-[[4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 1150565
2-methyl-4-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,3-thiazole
CID 2744068
4-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 7897610
2-(3-bromophenyl)-4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 16542348
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786
4-[4-(4-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 24521386
3-[4-methyl-5-[(5-nitrothiophen-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 87022290
3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-thiophen-2-yl-1,2,4-triazole
CID 679994
3-[4-benzyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 35774140
2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine
CID 931943
N-(4-ethylphenyl)-N-[4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 33156492

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole (CID 3784881) is 4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole is Cn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1csc(-c2cccnc2)n1.
What is the InChIKey of 4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is YBYRZINDJKLMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5S2/c1-27-16(15-11-28-17(24-15)13-3-2-8-23-9-13)25-26-18(27)29-10-12-4-6-14(7-5-12)19(20,21)22/h2-9,11H,10H2,1H3.
What are the key properties of 4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole?
4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 433.48 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 3784881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).