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

C11H8F3N3OS — CID 175935780

IUPAC2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(Cc2cc(C(F)(F)F)ccn2)s1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)6-1-2-16-7(3-6)4-9-17-5-8(19-9)10(15)18/h1-3,5H,4H2,(H2,15,18)
InChIKeyRZPDXQDMKJNDBO-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.25
Rot. Bonds3

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

2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 175935780) has the molecular formula C11H8F3N3OS and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID175935780
Molecular FormulaC11H8F3N3OS
Molecular Weight287.27 g/mol
Exact Mass287.03
IUPAC Name2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(Cc2cc(C(F)(F)F)ccn2)s1
InChIInChI=1S/C11H8F3N3OS/c12-11(13,14)6-1-2-16-7(3-6)4-9-17-5-8(19-9)10(15)18/h1-3,5H,4H2,(H2,15,18)
InChIKeyRZPDXQDMKJNDBO-UHFFFAOYSA-N
XLogP2.25
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole
CID 139463100
2-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67079639
2-(2H-tetrazol-5-ylmethyl)-4-(trifluoromethyl)pyridine
CID 124518140
trans-(1R,2R)-2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclopentan-1-amine
CID 125470676
4-[(carbamoylamino)methyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 167934472
2-methyl-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-5-carboxamide
CID 118378317
N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
CID 142586783
2-(chloromethyl)-4-(trifluoromethyl)pyridine;hydrochloride
CID 121232314
2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67518329
2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
CID 141218713
4-(trifluoromethyl)pyridine-2-carbohydrazide
CID 90455852
N-(6-iodopyridazin-3-yl)-2-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 164854074

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide (CID 175935780) is 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(Cc2cc(C(F)(F)F)ccn2)s1.
What is the InChIKey of 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is RZPDXQDMKJNDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3OS/c12-11(13,14)6-1-2-16-7(3-6)4-9-17-5-8(19-9)10(15)18/h1-3,5H,4H2,(H2,15,18).
What are the key properties of 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 175935780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).