2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

C13H12F3N3OS — CID 56823130

IUPAC2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2cccc(C(F)(F)F)n2)s1
InChIInChI=1S/C13H12F3N3OS/c1-3-10-17-7(2)11(21-10)12(20)19-9-6-4-5-8(18-9)13(14,15)16/h4-6H,3H2,1-2H3,(H,18,19,20)
InChIKeyXHTJWQHIHORMQT-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.68
Rot. Bonds3

About 2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 56823130) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID56823130
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)Nc2cccc(C(F)(F)F)n2)s1
InChIInChI=1S/C13H12F3N3OS/c1-3-10-17-7(2)11(21-10)12(20)19-9-6-4-5-8(18-9)13(14,15)16/h4-6H,3H2,1-2H3,(H,18,19,20)
InChIKeyXHTJWQHIHORMQT-UHFFFAOYSA-N
XLogP3.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (CID 56823130) is 2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)Nc2cccc(C(F)(F)F)n2)s1.
What is the InChIKey of 2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XHTJWQHIHORMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c1-3-10-17-7(2)11(21-10)12(20)19-9-6-4-5-8(18-9)13(14,15)16/h4-6H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 315.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56823130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).