4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide

C20H21N3O2S — CID 122560927

IUPAC4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
SMILESCc1ncsc1CCCNC(=O)c1ccc(-c2cc(CO)ccn2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-19(26-13-23-14)3-2-9-22-20(25)17-6-4-16(5-7-17)18-11-15(12-24)8-10-21-18/h4-8,10-11,13,24H,2-3,9,12H2,1H3,(H,22,25)
InChIKeyLKDLBNYLBLDSFF-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.37
Rot. Bonds7

About 4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide

4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide (PubChem CID 122560927) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
PubChem CID122560927
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
SMILESCc1ncsc1CCCNC(=O)c1ccc(-c2cc(CO)ccn2)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-19(26-13-23-14)3-2-9-22-20(25)17-6-4-16(5-7-17)18-11-15(12-24)8-10-21-18/h4-8,10-11,13,24H,2-3,9,12H2,1H3,(H,22,25)
InChIKeyLKDLBNYLBLDSFF-UHFFFAOYSA-N
XLogP3.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
CID 122570345
3-(4-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-5-carboxamide
CID 70773903
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718390
4-(5-methylfuran-2-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 131898687
4-(6-methoxy-4-methyl-3-pyridinyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 122570879
3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718386
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110743024
1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70707512
4-(hydroxymethyl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 118796056
4-(4-methyl-2-pyridinyl)-N-propylbenzamide
CID 59673771
4-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63283968
[2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate
CID 122516202

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide?
The IUPAC name of 4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide (CID 122560927) is 4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide.
What is the SMILES notation for 4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide?
The canonical SMILES for 4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide is Cc1ncsc1CCCNC(=O)c1ccc(-c2cc(CO)ccn2)cc1.
What is the InChIKey of 4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide?
The InChIKey is LKDLBNYLBLDSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-19(26-13-23-14)3-2-9-22-20(25)17-6-4-16(5-7-17)18-11-15(12-24)8-10-21-18/h4-8,10-11,13,24H,2-3,9,12H2,1H3,(H,22,25).
What are the key properties of 4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide?
4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide has a molecular weight of 367.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide is sourced from PubChem (CID 122560927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).