3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole

C16H14F3N3OS — CID 169090158

IUPAC3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole
SMILESCc1cccnc1N1CSC=C1c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C16H14F3N3OS/c1-11-3-2-6-20-15(11)22-10-24-8-14(22)13-5-4-12(7-21-13)23-9-16(17,18)19/h2-8H,9-10H2,1H3
InChIKeyVPLFOCUQINKKEZ-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.24
Rot. Bonds4

About 3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole

3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole (PubChem CID 169090158) has the molecular formula C16H14F3N3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is 3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole
PubChem CID169090158
Molecular FormulaC16H14F3N3OS
Molecular Weight353.37 g/mol
Exact Mass353.08
IUPAC Name3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole
SMILESCc1cccnc1N1CSC=C1c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C16H14F3N3OS/c1-11-3-2-6-20-15(11)22-10-24-8-14(22)13-5-4-12(7-21-13)23-9-16(17,18)19/h2-8H,9-10H2,1H3
InChIKeyVPLFOCUQINKKEZ-UHFFFAOYSA-N
XLogP4.24
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole?
The IUPAC name of 3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole (CID 169090158) is 3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole.
What is the SMILES notation for 3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole?
The canonical SMILES for 3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole is Cc1cccnc1N1CSC=C1c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole?
The InChIKey is VPLFOCUQINKKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3OS/c1-11-3-2-6-20-15(11)22-10-24-8-14(22)13-5-4-12(7-21-13)23-9-16(17,18)19/h2-8H,9-10H2,1H3.
What are the key properties of 3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole?
3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole has a molecular weight of 353.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-pyridinyl)-4-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2H-1,3-thiazole is sourced from PubChem (CID 169090158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).