5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C17H18F3N3O2S — CID 71093567

IUPAC5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1)c1nccs1
InChIInChI=1S/C17H18F3N3O2S/c1-16(2,15-21-7-8-26-15)23-13(24)12-6-5-11(10-3-4-10)14(22-12)25-9-17(18,19)20/h5-8,10H,3-4,9H2,1-2H3,(H,23,24)
InChIKeyAPWMQHZEQPLGAN-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.02
Rot. Bonds6

About 5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 71093567) has the molecular formula C17H18F3N3O2S and a molecular weight of 385.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID71093567
Molecular FormulaC17H18F3N3O2S
Molecular Weight385.41 g/mol
Exact Mass385.11
IUPAC Name5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC(C)(NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1)c1nccs1
InChIInChI=1S/C17H18F3N3O2S/c1-16(2,15-21-7-8-26-15)23-13(24)12-6-5-11(10-3-4-10)14(22-12)25-9-17(18,19)20/h5-8,10H,3-4,9H2,1-2H3,(H,23,24)
InChIKeyAPWMQHZEQPLGAN-UHFFFAOYSA-N
XLogP4.02
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 71093567) is 5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is CC(C)(NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1)c1nccs1.
What is the InChIKey of 5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is APWMQHZEQPLGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2S/c1-16(2,15-21-7-8-26-15)23-13(24)12-6-5-11(10-3-4-10)14(22-12)25-9-17(18,19)20/h5-8,10H,3-4,9H2,1-2H3,(H,23,24).
What are the key properties of 5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71093567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).