2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide

C119H98F3N15O6S3 — CID 159216202

IUPAC2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3cc(-c4ccccc4)ccn3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccc4)cn3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccccc4)cs3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccccc4)cs3)cc2C)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)cc2)ccn1
InChIInChI=1S/2C25H21N3O.C24H21N3OS.C23H19N3OS.C22H16F3N3O2S/c1-18-15-22(11-13-26-18)21-9-7-19(8-10-21)16-25(29)28-24-17-23(12-14-27-24)20-5-3-2-4-6-20;1-18-15-22(13-14-26-18)21-9-7-19(8-10-21)16-25(29)28-24-12-11-23(17-27-24)20-5-3-2-4-6-20;1-16-12-18(8-9-21(16)20-10-11-25-17(2)13-20)14-23(28)27-24-26-22(15-29-24)19-6-4-3-5-7-19;1-16-13-20(11-12-24-16)18-9-7-17(8-10-18)14-22(27)26-23-25-21(15-28-23)19-5-3-2-4-6-19;1-13-10-16(8-9-26-13)15-4-2-14(3-5-15)11-20(29)28-21-27-18-7-6-17(12-19(18)31-21)30-22(23,24)25/h2*2-15,17H,16H2,1H3,(H,27,28,29);3-13,15H,14H2,1-2H3,(H,26,27,28);2-13,15H,14H2,1H3,(H,25,26,27);2-10,12H,11H2,1H3,(H,27,28,29)
InChIKeyKRCHLAAHRXWZDR-UHFFFAOYSA-N
MW1987.39 g/mol
LogP27.38
Rot. Bonds25

About 2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide

2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 159216202) has the molecular formula C119H98F3N15O6S3 and a molecular weight of 1987.39 g/mol. Its IUPAC name is 2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
PubChem CID159216202
Molecular FormulaC119H98F3N15O6S3
Molecular Weight1987.39 g/mol
Exact Mass1985.69
IUPAC Name2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
SMILESCc1cc(-c2ccc(CC(=O)Nc3cc(-c4ccccc4)ccn3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccc4)cn3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccccc4)cs3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccccc4)cs3)cc2C)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)cc2)ccn1
InChIInChI=1S/2C25H21N3O.C24H21N3OS.C23H19N3OS.C22H16F3N3O2S/c1-18-15-22(11-13-26-18)21-9-7-19(8-10-21)16-25(29)28-24-17-23(12-14-27-24)20-5-3-2-4-6-20;1-18-15-22(13-14-26-18)21-9-7-19(8-10-21)16-25(29)28-24-12-11-23(17-27-24)20-5-3-2-4-6-20;1-16-12-18(8-9-21(16)20-10-11-25-17(2)13-20)14-23(28)27-24-26-22(15-29-24)19-6-4-3-5-7-19;1-16-13-20(11-12-24-16)18-9-7-17(8-10-18)14-22(27)26-23-25-21(15-28-23)19-5-3-2-4-6-19;1-13-10-16(8-9-26-13)15-4-2-14(3-5-15)11-20(29)28-21-27-18-7-6-17(12-19(18)31-21)30-22(23,24)25/h2*2-15,17H,16H2,1H3,(H,27,28,29);3-13,15H,14H2,1-2H3,(H,26,27,28);2-13,15H,14H2,1H3,(H,25,26,27);2-10,12H,11H2,1H3,(H,27,28,29)
InChIKeyKRCHLAAHRXWZDR-UHFFFAOYSA-N
XLogP27.38
TPSA283.63 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001987.39
LogP ≤ 527.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10251893, Cpd 28
CID 46927728
US10251893, Cpd 12
CID 46927583
US10251893, Cpd 17
CID 46927588
2-[4-(2-ethyl-4-pyridinyl)phenyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(2-methoxy-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 158320423
8-(6-methoxy-5-methyl-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyrido[2,3-b]pyrazin-7-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
CID 158961545
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-[2-(dibutylamino)-4-pyridinyl]-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide;N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-3H-indole-7-carboxamide;2-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(piperidin-4-yloxymethyl)phenyl]-3H-indole-7-carboxamide
CID 159017286
N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(3-methylphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenylpyrazin-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 159970928
N-[5-(2-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(3-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(3-methylphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[5-(4-methylphenyl)-2-pyridinyl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenylpyrazin-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 160523896
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 91758307
N-(1,3-benzothiazol-2-yl)-2-[4-(hydroperoxymethyl)-5-[3-[[2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazol-6-yl]oxy]propyl]-1,3-thiazol-2-yl]-3,4-dihydro-1H-isoquinoline-8-carboxamide
CID 88859698
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-[1-[4-[5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-pyridinyl]-1,4-oxazepan-2-yl]pyridin-1-ium-4-yl]phenyl]acetamide
CID 90937652
(3R)-3-[2-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-3-pyridinyl]cyclopentan-1-one;ethane;N-[4-[[3-(5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
CID 143998415

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide (CID 159216202) is 2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide is Cc1cc(-c2ccc(CC(=O)Nc3cc(-c4ccccc4)ccn3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccc4)cn3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccccc4)cs3)cc2)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3nc(-c4ccccc4)cs3)cc2C)ccn1.Cc1cc(-c2ccc(CC(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)cc2)ccn1.
What is the InChIKey of 2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is KRCHLAAHRXWZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H21N3O.C24H21N3OS.C23H19N3OS.C22H16F3N3O2S/c1-18-15-22(11-13-26-18)21-9-7-19(8-10-21)16-25(29)28-24-17-23(12-14-27-24)20-5-3-2-4-6-20;1-18-15-22(13-14-26-18)21-9-7-19(8-10-21)16-25(29)28-24-12-11-23(17-27-24)20-5-3-2-4-6-20;1-16-12-18(8-9-21(16)20-10-11-25-17(2)13-20)14-23(28)27-24-26-22(15-29-24)19-6-4-3-5-7-19;1-16-13-20(11-12-24-16)18-9-7-17(8-10-18)14-22(27)26-23-25-21(15-28-23)19-5-3-2-4-6-19;1-13-10-16(8-9-26-13)15-4-2-14(3-5-15)11-20(29)28-21-27-18-7-6-17(12-19(18)31-21)30-22(23,24)25/h2*2-15,17H,16H2,1H3,(H,27,28,29);3-13,15H,14H2,1-2H3,(H,26,27,28);2-13,15H,14H2,1H3,(H,25,26,27);2-10,12H,11H2,1H3,(H,27,28,29).
What are the key properties of 2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide?
2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 1987.39 g/mol, XLogP of 27.38, 25 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(5-phenyl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;2-[4-(2-methyl-4-pyridinyl)phenyl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 159216202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).