2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C18H13F3N2S — CID 91215676

IUPAC2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2csc(-c3cnccc3C3CC3)n2)cc1
InChIInChI=1S/C18H13F3N2S/c19-18(20,21)13-5-3-12(4-6-13)16-10-24-17(23-16)15-9-22-8-7-14(15)11-1-2-11/h3-11H,1-2H2
InChIKeySWSIKZFCOWSZSZ-UHFFFAOYSA-N
MW346.38 g/mol
LogP5.77
Rot. Bonds3

About 2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole

2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 91215676) has the molecular formula C18H13F3N2S and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID91215676
Molecular FormulaC18H13F3N2S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2csc(-c3cnccc3C3CC3)n2)cc1
InChIInChI=1S/C18H13F3N2S/c19-18(20,21)13-5-3-12(4-6-13)16-10-24-17(23-16)15-9-22-8-7-14(15)11-1-2-11/h3-11H,1-2H2
InChIKeySWSIKZFCOWSZSZ-UHFFFAOYSA-N
XLogP5.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 91215676) is 2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1ccc(-c2csc(-c3cnccc3C3CC3)n2)cc1.
What is the InChIKey of 2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is SWSIKZFCOWSZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2S/c19-18(20,21)13-5-3-12(4-6-13)16-10-24-17(23-16)15-9-22-8-7-14(15)11-1-2-11/h3-11H,1-2H2.
What are the key properties of 2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 346.38 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-3-pyridinyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 91215676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).