6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide

C21H14F2N6O2S — CID 10456518

IUPAC6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide
SMILESNc1nc(Nc2ccc(C(=O)Nc3ccccn3)cn2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C21H14F2N6O2S/c22-12-4-3-5-13(23)16(12)17(30)18-19(24)29-21(32-18)28-15-8-7-11(10-26-15)20(31)27-14-6-1-2-9-25-14/h1-10H,24H2,(H,25,27,31)(H,26,28,29)
InChIKeyAZIQCJUSMDIHOQ-UHFFFAOYSA-N
MW452.45 g/mol
LogP4.02
Rot. Bonds6

About 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide

6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 10456518) has the molecular formula C21H14F2N6O2S and a molecular weight of 452.45 g/mol. Its IUPAC name is 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide
PubChem CID10456518
Molecular FormulaC21H14F2N6O2S
Molecular Weight452.45 g/mol
Exact Mass452.09
IUPAC Name6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide
SMILESNc1nc(Nc2ccc(C(=O)Nc3ccccn3)cn2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C21H14F2N6O2S/c22-12-4-3-5-13(23)16(12)17(30)18-19(24)29-21(32-18)28-15-8-7-11(10-26-15)20(31)27-14-6-1-2-9-25-14/h1-10H,24H2,(H,25,27,31)(H,26,28,29)
InChIKeyAZIQCJUSMDIHOQ-UHFFFAOYSA-N
XLogP4.02
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide (CID 10456518) is 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide is Nc1nc(Nc2ccc(C(=O)Nc3ccccn3)cn2)sc1C(=O)c1c(F)cccc1F.
What is the InChIKey of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is AZIQCJUSMDIHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6O2S/c22-12-4-3-5-13(23)16(12)17(30)18-19(24)29-21(32-18)28-15-8-7-11(10-26-15)20(31)27-14-6-1-2-9-25-14/h1-10H,24H2,(H,25,27,31)(H,26,28,29).
What are the key properties of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide?
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 452.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 10456518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).