N-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde

C58H60N8O5S2 — CID 157358261

IUPACN-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde
SMILESCN(CCO)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1.CN(CCO)C(=O)c1ccc(C(=C2CCNCC2)c2cccc3cccnc23)cc1.O=Cc1cscn1
InChIInChI=1S/C29H30N4O2S.C25H27N3O2.C4H3NOS/c1-32(16-17-34)29(35)24-9-7-21(8-10-24)27(26-6-2-4-23-5-3-13-30-28(23)26)22-11-14-33(15-12-22)18-25-19-36-20-31-25;1-28(16-17-29)25(30)21-9-7-18(8-10-21)23(19-11-14-26-15-12-19)22-6-2-4-20-5-3-13-27-24(20)22;6-1-4-2-7-3-5-4/h2-10,13,19-20,34H,11-12,14-18H2,1H3;2-10,13,26,29H,11-12,14-17H2,1H3;1-3H
InChIKeyBIIONFKYOQTTHM-UHFFFAOYSA-N
MW1013.30 g/mol
LogP9.29
Rot. Bonds13

About N-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde

N-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde (PubChem CID 157358261) has the molecular formula C58H60N8O5S2 and a molecular weight of 1013.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde
PubChem CID157358261
Molecular FormulaC58H60N8O5S2
Molecular Weight1013.30 g/mol
Exact Mass1012.41
IUPAC NameN-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde
SMILESCN(CCO)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1.CN(CCO)C(=O)c1ccc(C(=C2CCNCC2)c2cccc3cccnc23)cc1.O=Cc1cscn1
InChIInChI=1S/C29H30N4O2S.C25H27N3O2.C4H3NOS/c1-32(16-17-34)29(35)24-9-7-21(8-10-24)27(26-6-2-4-23-5-3-13-30-28(23)26)22-11-14-33(15-12-22)18-25-19-36-20-31-25;1-28(16-17-29)25(30)21-9-7-18(8-10-21)23(19-11-14-26-15-12-19)22-6-2-4-20-5-3-13-27-24(20)22;6-1-4-2-7-3-5-4/h2-10,13,19-20,34H,11-12,14-18H2,1H3;2-10,13,26,29H,11-12,14-17H2,1H3;1-3H
InChIKeyBIIONFKYOQTTHM-UHFFFAOYSA-N
XLogP9.29
TPSA164.98 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001013.30
LogP ≤ 59.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde with MolForge

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Related Compounds

Azd-7268
CID 24772484
Pyrrolidin-1-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
CID 57394197
Morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
CID 57395267
(4-Hydroxypiperidin-1-yl)-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
CID 57400482
(4-Methylpiperazin-1-yl)-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
CID 57400481
US9896452, Example 54
CID 71715389
(2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[1-[4-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperidine-1-carbonyl]benzoyl]piperidin-4-yl]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 177638131
N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-3-[4-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperidine-1-carbonyl]benzoyl]-3-azaspiro[5.5]undecane-9-carboxamide
CID 177647086
N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-[4-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperidine-1-carbonyl]benzoyl]piperidine-4-carboxamide
CID 177649669
US9896452, Example 141
CID 89748266
N-[[4,4-difluoro-1-[2-[3-[3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)-2-[(quinoline-8-carbonylamino)methyl]piperidin-4-yl]phenyl]benzoyl]pyrrolidin-2-yl]methyl]quinoline-8-carboxamide
CID 123225378
N-[[(2S)-4,4-difluoro-1-[2-[3-[3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)-2-[(quinoline-8-carbonylamino)methyl]piperidin-4-yl]phenyl]benzoyl]pyrrolidin-2-yl]methyl]quinoline-8-carboxamide
CID 134408357

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde (CID 157358261) is N-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde is CN(CCO)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1.CN(CCO)C(=O)c1ccc(C(=C2CCNCC2)c2cccc3cccnc23)cc1.O=Cc1cscn1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde?
The InChIKey is BIIONFKYOQTTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2S.C25H27N3O2.C4H3NOS/c1-32(16-17-34)29(35)24-9-7-21(8-10-24)27(26-6-2-4-23-5-3-13-30-28(23)26)22-11-14-33(15-12-22)18-25-19-36-20-31-25;1-28(16-17-29)25(30)21-9-7-18(8-10-21)23(19-11-14-26-15-12-19)22-6-2-4-20-5-3-13-27-24(20)22;6-1-4-2-7-3-5-4/h2-10,13,19-20,34H,11-12,14-18H2,1H3;2-10,13,26,29H,11-12,14-17H2,1H3;1-3H.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde?
N-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde has a molecular weight of 1013.30 g/mol, XLogP of 9.29, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide;1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 157358261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).