4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide

C24H21N3O2S — CID 58398633

IUPAC4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CO)cc2)cc1Cc1nc(-c2cccnc2)cs1
InChIInChI=1S/C24H21N3O2S/c1-16-4-9-21(26-24(29)18-7-5-17(14-28)6-8-18)11-20(16)12-23-27-22(15-30-23)19-3-2-10-25-13-19/h2-11,13,15,28H,12,14H2,1H3,(H,26,29)
InChIKeyGSRKRCJFGLFRKK-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.85
Rot. Bonds6

About 4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide

4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide (PubChem CID 58398633) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide
PubChem CID58398633
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CO)cc2)cc1Cc1nc(-c2cccnc2)cs1
InChIInChI=1S/C24H21N3O2S/c1-16-4-9-21(26-24(29)18-7-5-17(14-28)6-8-18)11-20(16)12-23-27-22(15-30-23)19-3-2-10-25-13-19/h2-11,13,15,28H,12,14H2,1H3,(H,26,29)
InChIKeyGSRKRCJFGLFRKK-UHFFFAOYSA-N
XLogP4.85
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide with MolForge

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Related Compounds

Methyl 2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-5-carboxylate
CID 24768284
3-[[(2S)-3-phenyl-2-(1,3-thiazol-4-ylmethylamino)propanoyl]amino]-5-pyridin-4-ylbenzoic acid
CID 69643233
2-Oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-5-carboxylic acid
CID 22638539
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(2-methylthiazol-4-yl)acetamide
CID 46881616
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(2-phenylthiazol-4-yl)acetamide
CID 46881618
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(4-phenylthiazol-2-yl)acetamide
CID 46881651
2-[2-oxo-2-[[5-[(E)-2-(4-propan-2-yl-1,3-thiazol-2-yl)ethenyl]-3-pyridinyl]amino]ethyl]benzoic acid
CID 23118470
4-[2-(2-Propyl-4-pyridyl)thiazol-4-yl]benzoic acid
CID 118709524
Ethyl 2-[[2-[4-(4-methylphenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]acetyl]amino]benzoate
CID 2420878
US20230348450, Example 277
CID 162757069
US20230348450, Example 287
CID 162757195
2-[2-[3-[(E)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethenyl]anilino]-2-oxoethyl]pyridine-3-carboxylic acid
CID 44355319

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide (CID 58398633) is 4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide is Cc1ccc(NC(=O)c2ccc(CO)cc2)cc1Cc1nc(-c2cccnc2)cs1.
What is the InChIKey of 4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide?
The InChIKey is GSRKRCJFGLFRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-16-4-9-21(26-24(29)18-7-5-17(14-28)6-8-18)11-20(16)12-23-27-22(15-30-23)19-3-2-10-25-13-19/h2-11,13,15,28H,12,14H2,1H3,(H,26,29).
What are the key properties of 4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide?
4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide has a molecular weight of 415.52 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 58398633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).