N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide

C19H22N6O2S — CID 126796449

IUPACN-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
SMILESCn1ncnc1C1COCCN1Cc1csc(CNC(=O)c2ccccc2)n1
InChIInChI=1S/C19H22N6O2S/c1-24-18(21-13-22-24)16-11-27-8-7-25(16)10-15-12-28-17(23-15)9-20-19(26)14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3,(H,20,26)
InChIKeyPEYKCKDKUMKVFF-UHFFFAOYSA-N
MW398.49 g/mol
LogP1.78
Rot. Bonds6

About N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide

N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 126796449) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID126796449
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
SMILESCn1ncnc1C1COCCN1Cc1csc(CNC(=O)c2ccccc2)n1
InChIInChI=1S/C19H22N6O2S/c1-24-18(21-13-22-24)16-11-27-8-7-25(16)10-15-12-28-17(23-15)9-20-19(26)14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3,(H,20,26)
InChIKeyPEYKCKDKUMKVFF-UHFFFAOYSA-N
XLogP1.78
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
CID 154756493
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 111544191
N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 119918242
4-[(2-ethylnaphthalen-1-yl)methyl]-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
CID 138027903
4-[[3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]benzoic acid
CID 122034052
3,4-difluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359916
ethyl 2-[2-(benzamidomethyl)-1,3-thiazol-4-yl]acetate
CID 7140220
3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide
CID 71859638
4-(2-ethenylsulfonylethyl)-3-(2-methyl-1,2,4-triazol-3-yl)morpholine
CID 138051010
N-[[4-[[[1-(ethylcarbamoyl)cyclopentyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 86818587
2,3,4-trifluoro-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359917
methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359921

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide (CID 126796449) is N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide is Cn1ncnc1C1COCCN1Cc1csc(CNC(=O)c2ccccc2)n1.
What is the InChIKey of N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is PEYKCKDKUMKVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-24-18(21-13-22-24)16-11-27-8-7-25(16)10-15-12-28-17(23-15)9-20-19(26)14-5-3-2-4-6-14/h2-6,12-13,16H,7-11H2,1H3,(H,20,26).
What are the key properties of N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide?
N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 398.49 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(2-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 126796449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).