N-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide

C11H7F3N4O2S — CID 11012528

IUPACN-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide
SMILESO=C(Nc1nccs1)c1ncccc1NC(=O)C(F)(F)F
InChIInChI=1S/C11H7F3N4O2S/c12-11(13,14)9(20)17-6-2-1-3-15-7(6)8(19)18-10-16-4-5-21-10/h1-5H,(H,17,20)(H,16,18,19)
InChIKeyFYIMQSDWGCXGRF-UHFFFAOYSA-N
MW316.26 g/mol
LogP2.29
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide

N-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide (PubChem CID 11012528) has the molecular formula C11H7F3N4O2S and a molecular weight of 316.26 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide
PubChem CID11012528
Molecular FormulaC11H7F3N4O2S
Molecular Weight316.26 g/mol
Exact Mass316.02
IUPAC NameN-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide
SMILESO=C(Nc1nccs1)c1ncccc1NC(=O)C(F)(F)F
InChIInChI=1S/C11H7F3N4O2S/c12-11(13,14)9(20)17-6-2-1-3-15-7(6)8(19)18-10-16-4-5-21-10/h1-5H,(H,17,20)(H,16,18,19)
InChIKeyFYIMQSDWGCXGRF-UHFFFAOYSA-N
XLogP2.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide (CID 11012528) is N-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide is O=C(Nc1nccs1)c1ncccc1NC(=O)C(F)(F)F.
What is the InChIKey of N-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide?
The InChIKey is FYIMQSDWGCXGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4O2S/c12-11(13,14)9(20)17-6-2-1-3-15-7(6)8(19)18-10-16-4-5-21-10/h1-5H,(H,17,20)(H,16,18,19).
What are the key properties of N-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide?
N-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide has a molecular weight of 316.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-3-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 11012528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).