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

C22H15F2N5O2S — CID 10253273

IUPAC6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-phenylpyridine-3-carboxamide
SMILESNc1nc(Nc2ccc(C(=O)Nc3ccccc3)cn2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C22H15F2N5O2S/c23-14-7-4-8-15(24)17(14)18(30)19-20(25)29-22(32-19)28-16-10-9-12(11-26-16)21(31)27-13-5-2-1-3-6-13/h1-11H,25H2,(H,27,31)(H,26,28,29)
InChIKeyKQJZWISIEYAWQT-UHFFFAOYSA-N
MW451.46 g/mol
LogP4.63
Rot. Bonds6

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

6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-phenylpyridine-3-carboxamide (PubChem CID 10253273) has the molecular formula C22H15F2N5O2S and a molecular weight of 451.46 g/mol. Its IUPAC name is 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-phenylpyridine-3-carboxamide
PubChem CID10253273
Molecular FormulaC22H15F2N5O2S
Molecular Weight451.46 g/mol
Exact Mass451.09
IUPAC Name6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-phenylpyridine-3-carboxamide
SMILESNc1nc(Nc2ccc(C(=O)Nc3ccccc3)cn2)sc1C(=O)c1c(F)cccc1F
InChIInChI=1S/C22H15F2N5O2S/c23-14-7-4-8-15(24)17(14)18(30)19-20(25)29-22(32-19)28-16-10-9-12(11-26-16)21(31)27-13-5-2-1-3-6-13/h1-11H,25H2,(H,27,31)(H,26,28,29)
InChIKeyKQJZWISIEYAWQT-UHFFFAOYSA-N
XLogP4.63
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-phenylpyridine-3-carboxamide?
The IUPAC name of 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-phenylpyridine-3-carboxamide (CID 10253273) is 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-phenylpyridine-3-carboxamide is Nc1nc(Nc2ccc(C(=O)Nc3ccccc3)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-phenylpyridine-3-carboxamide?
The InChIKey is KQJZWISIEYAWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O2S/c23-14-7-4-8-15(24)17(14)18(30)19-20(25)29-22(32-19)28-16-10-9-12(11-26-16)21(31)27-13-5-2-1-3-6-13/h1-11H,25H2,(H,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-phenylpyridine-3-carboxamide?
6-[[4-amino-5-(2,6-difluorobenzoyl)-1,3-thiazol-2-yl]amino]-N-phenylpyridine-3-carboxamide has a molecular weight of 451.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 7 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-phenylpyridine-3-carboxamide is sourced from PubChem (CID 10253273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).