4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide

C49H40N10O4S3 — CID 158889190

IUPAC4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)Nc3cccs3)cc2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2ccc(O)cc2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C27H22N6O2S2.C22H18N4O2S/c1-17-6-9-21(14-22(17)31-27-32-23(16-37-27)19-4-2-12-28-15-19)29-25(34)18-7-10-20(11-8-18)30-26(35)33-24-5-3-13-36-24;1-14-4-7-17(24-21(28)15-5-8-18(27)9-6-15)11-19(14)25-22-26-20(13-29-22)16-3-2-10-23-12-16/h2-16H,1H3,(H,29,34)(H,31,32)(H2,30,33,35);2-13,27H,1H3,(H,24,28)(H,25,26)
InChIKeyJDZXHWLHRNVUJH-UHFFFAOYSA-N
MW929.13 g/mol
LogP12.43
Rot. Bonds12

About 4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide

4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide (PubChem CID 158889190) has the molecular formula C49H40N10O4S3 and a molecular weight of 929.13 g/mol. Its IUPAC name is 4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide
PubChem CID158889190
Molecular FormulaC49H40N10O4S3
Molecular Weight929.13 g/mol
Exact Mass928.24
IUPAC Name4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)Nc3cccs3)cc2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2ccc(O)cc2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C27H22N6O2S2.C22H18N4O2S/c1-17-6-9-21(14-22(17)31-27-32-23(16-37-27)19-4-2-12-28-15-19)29-25(34)18-7-10-20(11-8-18)30-26(35)33-24-5-3-13-36-24;1-14-4-7-17(24-21(28)15-5-8-18(27)9-6-15)11-19(14)25-22-26-20(13-29-22)16-3-2-10-23-12-16/h2-16H,1H3,(H,29,34)(H,31,32)(H2,30,33,35);2-13,27H,1H3,(H,24,28)(H,25,26)
InChIKeyJDZXHWLHRNVUJH-UHFFFAOYSA-N
XLogP12.43
TPSA195.18 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500929.13
LogP ≤ 512.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Analyze 4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide with MolForge

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Related Compounds

1-(4-methylphenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea
CID 10432011
1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea
CID 57473566
3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 59651304
4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 10319726
CID 89305752
CID 89305752
N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide
CID 10478636
4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 59662707
ethane;4-[(4-ethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 144702954
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 59279401
1-(2-chlorophenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea;1-(2-fluorophenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea
CID 158018079
1-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]cyclohexane-1-carboxamide
CID 59789377

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide?
The IUPAC name of 4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide (CID 158889190) is 4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for 4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide?
The canonical SMILES for 4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide is Cc1ccc(NC(=O)c2ccc(NC(=O)Nc3cccs3)cc2)cc1Nc1nc(-c2cccnc2)cs1.Cc1ccc(NC(=O)c2ccc(O)cc2)cc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide?
The InChIKey is JDZXHWLHRNVUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2S2.C22H18N4O2S/c1-17-6-9-21(14-22(17)31-27-32-23(16-37-27)19-4-2-12-28-15-19)29-25(34)18-7-10-20(11-8-18)30-26(35)33-24-5-3-13-36-24;1-14-4-7-17(24-21(28)15-5-8-18(27)9-6-15)11-19(14)25-22-26-20(13-29-22)16-3-2-10-23-12-16/h2-16H,1H3,(H,29,34)(H,31,32)(H2,30,33,35);2-13,27H,1H3,(H,24,28)(H,25,26).
What are the key properties of 4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide?
4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide has a molecular weight of 929.13 g/mol, XLogP of 12.43, 12 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide;N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-(thiophen-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 158889190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).