2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide

C12H11F3N4OS — CID 79875665

IUPAC2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NCCc1cscn1
InChIInChI=1S/C12H11F3N4OS/c13-12(14,15)9-2-1-8(10(16)20)11(19-9)17-4-3-7-5-21-6-18-7/h1-2,5-6H,3-4H2,(H2,16,20)(H,17,19)
InChIKeyVMWYSTXKXBOSPB-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.31
Rot. Bonds5

About 2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79875665) has the molecular formula C12H11F3N4OS and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79875665
Molecular FormulaC12H11F3N4OS
Molecular Weight316.31 g/mol
Exact Mass316.06
IUPAC Name2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)nc1NCCc1cscn1
InChIInChI=1S/C12H11F3N4OS/c13-12(14,15)9-2-1-8(10(16)20)11(19-9)17-4-3-7-5-21-6-18-7/h1-2,5-6H,3-4H2,(H2,16,20)(H,17,19)
InChIKeyVMWYSTXKXBOSPB-UHFFFAOYSA-N
XLogP2.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79875665) is 2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)nc1NCCc1cscn1.
What is the InChIKey of 2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VMWYSTXKXBOSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4OS/c13-12(14,15)9-2-1-8(10(16)20)11(19-9)17-4-3-7-5-21-6-18-7/h1-2,5-6H,3-4H2,(H2,16,20)(H,17,19).
What are the key properties of 2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-4-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79875665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).