2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole

C15H8F5N3S2 — CID 46083343

IUPAC2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole
SMILESFc1cccc(F)c1-c1nc(CSc2nccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C15H8F5N3S2/c16-9-2-1-3-10(17)12(9)13-22-8(6-24-13)7-25-14-21-5-4-11(23-14)15(18,19)20/h1-6H,7H2
InChIKeyPRJRAZOZKIIBPS-UHFFFAOYSA-N
MW389.37 g/mol
LogP5.19
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole

2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole (PubChem CID 46083343) has the molecular formula C15H8F5N3S2 and a molecular weight of 389.37 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole
PubChem CID46083343
Molecular FormulaC15H8F5N3S2
Molecular Weight389.37 g/mol
Exact Mass389.01
IUPAC Name2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole
SMILESFc1cccc(F)c1-c1nc(CSc2nccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C15H8F5N3S2/c16-9-2-1-3-10(17)12(9)13-22-8(6-24-13)7-25-14-21-5-4-11(23-14)15(18,19)20/h1-6H,7H2
InChIKeyPRJRAZOZKIIBPS-UHFFFAOYSA-N
XLogP5.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.37
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole (CID 46083343) is 2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole is Fc1cccc(F)c1-c1nc(CSc2nccc(C(F)(F)F)n2)cs1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole?
The InChIKey is PRJRAZOZKIIBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F5N3S2/c16-9-2-1-3-10(17)12(9)13-22-8(6-24-13)7-25-14-21-5-4-11(23-14)15(18,19)20/h1-6H,7H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole?
2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole has a molecular weight of 389.37 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 46083343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).