4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide

C56H60N10O3S2 — CID 87968495

IUPAC4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide
SMILESCCCN(CCC)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nc(-c4cccnc4)cs3)c2)cc1.Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C29H33N5OS.C27H27N5O2S/c1-4-15-34(16-5-2)19-22-9-11-23(12-10-22)28(35)31-25-13-8-21(3)26(17-25)32-29-33-27(20-36-29)24-7-6-14-30-18-24;1-19-4-9-23(15-24(19)30-27-31-25(18-35-27)22-3-2-10-28-16-22)29-26(33)21-7-5-20(6-8-21)17-32-11-13-34-14-12-32/h6-14,17-18,20H,4-5,15-16,19H2,1-3H3,(H,31,35)(H,32,33);2-10,15-16,18H,11-14,17H2,1H3,(H,29,33)(H,30,31)
InChIKeyPMKHRJBLDSFULS-UHFFFAOYSA-N
MW985.30 g/mol
LogP12.47
Rot. Bonds18

About 4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide

4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide (PubChem CID 87968495) has the molecular formula C56H60N10O3S2 and a molecular weight of 985.30 g/mol. Its IUPAC name is 4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide
PubChem CID87968495
Molecular FormulaC56H60N10O3S2
Molecular Weight985.30 g/mol
Exact Mass984.43
IUPAC Name4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide
SMILESCCCN(CCC)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nc(-c4cccnc4)cs3)c2)cc1.Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C29H33N5OS.C27H27N5O2S/c1-4-15-34(16-5-2)19-22-9-11-23(12-10-22)28(35)31-25-13-8-21(3)26(17-25)32-29-33-27(20-36-29)24-7-6-14-30-18-24;1-19-4-9-23(15-24(19)30-27-31-25(18-35-27)22-3-2-10-28-16-22)29-26(33)21-7-5-20(6-8-21)17-32-11-13-34-14-12-32/h6-14,17-18,20H,4-5,15-16,19H2,1-3H3,(H,31,35)(H,32,33);2-10,15-16,18H,11-14,17H2,1H3,(H,29,33)(H,30,31)
InChIKeyPMKHRJBLDSFULS-UHFFFAOYSA-N
XLogP12.47
TPSA149.53 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500985.30
LogP ≤ 512.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide with MolForge

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Related Compounds

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-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 59279401
4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 10319726
(1S)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-1-(2-morpholin-4-ylethylamino)-2,3-dihydro-1H-indene-5-carboxamide
CID 163768322
3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 59651304
N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide
CID 10478636
4-(diethylaminomethyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 43070031
methane;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 66715616
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazol-2-yl]amino]phenyl]benzamide
CID 174789263
N-[3-[(3-ethenyl-4-pyridin-3-yl-2-pyridinyl)amino]-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 123822024
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]aniline
CID 87235907
4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 59662707

Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of 4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide (CID 87968495) is 4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide is CCCN(CCC)Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nc(-c4cccnc4)cs3)c2)cc1.Cc1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide?
The InChIKey is PMKHRJBLDSFULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5OS.C27H27N5O2S/c1-4-15-34(16-5-2)19-22-9-11-23(12-10-22)28(35)31-25-13-8-21(3)26(17-25)32-29-33-27(20-36-29)24-7-6-14-30-18-24;1-19-4-9-23(15-24(19)30-27-31-25(18-35-27)22-3-2-10-28-16-22)29-26(33)21-7-5-20(6-8-21)17-32-11-13-34-14-12-32/h6-14,17-18,20H,4-5,15-16,19H2,1-3H3,(H,31,35)(H,32,33);2-10,15-16,18H,11-14,17H2,1H3,(H,29,33)(H,30,31).
What are the key properties of 4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide?
4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide has a molecular weight of 985.30 g/mol, XLogP of 12.47, 18 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylamino)methyl]-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-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 87968495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).