2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole

C13H8F3N3OS — CID 58416087

IUPAC2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(-c2cccnc2)sc1-c1nc(C(F)(F)F)co1
InChIInChI=1S/C13H8F3N3OS/c1-7-10(11-19-9(6-20-11)13(14,15)16)21-12(18-7)8-3-2-4-17-5-8/h2-6H,1H3
InChIKeyYKSLXNRINMXIOT-UHFFFAOYSA-N
MW311.29 g/mol
LogP4.19
Rot. Bonds2

About 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole

2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 58416087) has the molecular formula C13H8F3N3OS and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole
PubChem CID58416087
Molecular FormulaC13H8F3N3OS
Molecular Weight311.29 g/mol
Exact Mass311.03
IUPAC Name2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole
SMILESCc1nc(-c2cccnc2)sc1-c1nc(C(F)(F)F)co1
InChIInChI=1S/C13H8F3N3OS/c1-7-10(11-19-9(6-20-11)13(14,15)16)21-12(18-7)8-3-2-4-17-5-8/h2-6H,1H3
InChIKeyYKSLXNRINMXIOT-UHFFFAOYSA-N
XLogP4.19
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole (CID 58416087) is 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole is Cc1nc(-c2cccnc2)sc1-c1nc(C(F)(F)F)co1.
What is the InChIKey of 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is YKSLXNRINMXIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3OS/c1-7-10(11-19-9(6-20-11)13(14,15)16)21-12(18-7)8-3-2-4-17-5-8/h2-6H,1H3.
What are the key properties of 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole?
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 311.29 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 58416087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).