2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole

C10H7F3N2S — CID 130464416

IUPAC2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
SMILESCc1cc(-c2nccs2)cnc1C(F)(F)F
InChIInChI=1S/C10H7F3N2S/c1-6-4-7(9-14-2-3-16-9)5-15-8(6)10(11,12)13/h2-5H,1H3
InChIKeyPVGOHFUCWAVYIT-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.53
Rot. Bonds1

About 2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole

2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole (PubChem CID 130464416) has the molecular formula C10H7F3N2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
PubChem CID130464416
Molecular FormulaC10H7F3N2S
Molecular Weight244.24 g/mol
Exact Mass244.03
IUPAC Name2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole
SMILESCc1cc(-c2nccs2)cnc1C(F)(F)F
InChIInChI=1S/C10H7F3N2S/c1-6-4-7(9-14-2-3-16-9)5-15-8(6)10(11,12)13/h2-5H,1H3
InChIKeyPVGOHFUCWAVYIT-UHFFFAOYSA-N
XLogP3.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole (CID 130464416) is 2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole is Cc1cc(-c2nccs2)cnc1C(F)(F)F.
What is the InChIKey of 2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
The InChIKey is PVGOHFUCWAVYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2S/c1-6-4-7(9-14-2-3-16-9)5-15-8(6)10(11,12)13/h2-5H,1H3.
What are the key properties of 2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole?
2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole has a molecular weight of 244.24 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 130464416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).