3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide

C119H99F4N21O7S5 — CID 173171306

IUPAC3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide
SMILESCc1ccc(C(N)=O)cc1Cc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2ccc(-c3ccncc3)cc2)cc1Cc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(OCCN3CCOCC3)c2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C28H29N5O3S.C28H22N4OS.C23H16F4N4OS.C23H17N5OS.C17H15N3OS/c1-20-7-8-23(17-25(20)31-28-32-26(19-37-28)22-5-3-9-29-18-22)30-27(34)21-4-2-6-24(16-21)36-15-12-33-10-13-35-14-11-33;1-19-4-9-25(15-24(19)16-27-32-26(18-34-27)23-3-2-12-30-17-23)31-28(33)22-7-5-20(6-8-22)21-10-13-29-14-11-21;1-13-7-8-15(29-21(32)16-5-2-6-17(20(16)24)23(25,26)27)10-18(13)30-22-31-19(12-33-22)14-4-3-9-28-11-14;1-15-7-8-19(26-22(29)17-5-2-4-16(10-17)12-24)11-20(15)27-23-28-21(14-30-23)18-6-3-9-25-13-18;1-11-4-5-12(17(18)21)7-14(11)8-16-20-15(10-22-16)13-3-2-6-19-9-13/h2-9,16-19H,10-15H2,1H3,(H,30,34)(H,31,32);2-15,17-18H,16H2,1H3,(H,31,33);2-12H,1H3,(H,29,32)(H,30,31);2-11,13-14H,1H3,(H,26,29)(H,27,28);2-7,9-10H,8H2,1H3,(H2,18,21)
InChIKeyZCEYHGLTLLYVHE-UHFFFAOYSA-N
MW2171.57 g/mol
LogP26.89
Rot. Bonds29

About 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide

3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide (PubChem CID 173171306) has the molecular formula C119H99F4N21O7S5 and a molecular weight of 2171.57 g/mol. Its IUPAC name is 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide
PubChem CID173171306
Molecular FormulaC119H99F4N21O7S5
Molecular Weight2171.57 g/mol
Exact Mass2169.66
IUPAC Name3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide
SMILESCc1ccc(C(N)=O)cc1Cc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2ccc(-c3ccncc3)cc2)cc1Cc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(OCCN3CCOCC3)c2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C28H29N5O3S.C28H22N4OS.C23H16F4N4OS.C23H17N5OS.C17H15N3OS/c1-20-7-8-23(17-25(20)31-28-32-26(19-37-28)22-5-3-9-29-18-22)30-27(34)21-4-2-6-24(16-21)36-15-12-33-10-13-35-14-11-33;1-19-4-9-25(15-24(19)16-27-32-26(18-34-27)23-3-2-12-30-17-23)31-28(33)22-7-5-20(6-8-22)21-10-13-29-14-11-21;1-13-7-8-15(29-21(32)16-5-2-6-17(20(16)24)23(25,26)27)10-18(13)30-22-31-19(12-33-22)14-4-3-9-28-11-14;1-15-7-8-19(26-22(29)17-5-2-4-16(10-17)12-24)11-20(15)27-23-28-21(14-30-23)18-6-3-9-25-13-18;1-11-4-5-12(17(18)21)7-14(11)8-16-20-15(10-22-16)13-3-2-6-19-9-13/h2-9,16-19H,10-15H2,1H3,(H,30,34)(H,31,32);2-15,17-18H,16H2,1H3,(H,31,33);2-12H,1H3,(H,29,32)(H,30,31);2-11,13-14H,1H3,(H,26,29)(H,27,28);2-7,9-10H,8H2,1H3,(H2,18,21)
InChIKeyZCEYHGLTLLYVHE-UHFFFAOYSA-N
XLogP26.89
TPSA382.86 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds29
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002171.57
LogP ≤ 526.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide?
The IUPAC name of 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide (CID 173171306) is 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide?
The canonical SMILES for 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide is Cc1ccc(C(N)=O)cc1Cc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2ccc(-c3ccncc3)cc2)cc1Cc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2cccc(OCCN3CCOCC3)c2)cc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide?
The InChIKey is ZCEYHGLTLLYVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3S.C28H22N4OS.C23H16F4N4OS.C23H17N5OS.C17H15N3OS/c1-20-7-8-23(17-25(20)31-28-32-26(19-37-28)22-5-3-9-29-18-22)30-27(34)21-4-2-6-24(16-21)36-15-12-33-10-13-35-14-11-33;1-19-4-9-25(15-24(19)16-27-32-26(18-34-27)23-3-2-12-30-17-23)31-28(33)22-7-5-20(6-8-22)21-10-13-29-14-11-21;1-13-7-8-15(29-21(32)16-5-2-6-17(20(16)24)23(25,26)27)10-18(13)30-22-31-19(12-33-22)14-4-3-9-28-11-14;1-15-7-8-19(26-22(29)17-5-2-4-16(10-17)12-24)11-20(15)27-23-28-21(14-30-23)18-6-3-9-25-13-18;1-11-4-5-12(17(18)21)7-14(11)8-16-20-15(10-22-16)13-3-2-6-19-9-13/h2-9,16-19H,10-15H2,1H3,(H,30,34)(H,31,32);2-15,17-18H,16H2,1H3,(H,31,33);2-12H,1H3,(H,29,32)(H,30,31);2-11,13-14H,1H3,(H,26,29)(H,27,28);2-7,9-10H,8H2,1H3,(H2,18,21).
What are the key properties of 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide?
3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide has a molecular weight of 2171.57 g/mol, XLogP of 26.89, 29 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;2-fluoro-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(2-morpholin-4-ylethoxy)benzamide;4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]-4-pyridin-4-ylbenzamide is sourced from PubChem (CID 173171306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).