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

C17H10F3N5S2 — CID 133383568

IUPAC2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(Sc2nnc(-c3ccccn3)n2-c2ccccc2)n1
InChIInChI=1S/C17H10F3N5S2/c18-17(19,20)13-10-26-16(22-13)27-15-24-23-14(12-8-4-5-9-21-12)25(15)11-6-2-1-3-7-11/h1-10H
InChIKeyBKLJMVCOZBVEBA-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.96
Rot. Bonds4

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

2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133383568) has the molecular formula C17H10F3N5S2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133383568
Molecular FormulaC17H10F3N5S2
Molecular Weight405.43 g/mol
Exact Mass405.03
IUPAC Name2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(Sc2nnc(-c3ccccn3)n2-c2ccccc2)n1
InChIInChI=1S/C17H10F3N5S2/c18-17(19,20)13-10-26-16(22-13)27-15-24-23-14(12-8-4-5-9-21-12)25(15)11-6-2-1-3-7-11/h1-10H
InChIKeyBKLJMVCOZBVEBA-UHFFFAOYSA-N
XLogP4.96
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole (CID 133383568) is 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(Sc2nnc(-c3ccccn3)n2-c2ccccc2)n1.
What is the InChIKey of 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is BKLJMVCOZBVEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5S2/c18-17(19,20)13-10-26-16(22-13)27-15-24-23-14(12-8-4-5-9-21-12)25(15)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 405.43 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133383568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).