N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

C22H31N3OS — CID 78807365

IUPACN-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2nc(CN(C)C3CCC(C)CC3)cs2)c1
InChIInChI=1S/C22H31N3OS/c1-15-6-9-19(10-7-15)25(4)13-18-14-27-22(23-18)12-21(26)24-20-11-16(2)5-8-17(20)3/h5,8,11,14-15,19H,6-7,9-10,12-13H2,1-4H3,(H,24,26)
InChIKeyYQYAUGQRPWXOLH-UHFFFAOYSA-N
MW385.58 g/mol
LogP4.95
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 78807365) has the molecular formula C22H31N3OS and a molecular weight of 385.58 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID78807365
Molecular FormulaC22H31N3OS
Molecular Weight385.58 g/mol
Exact Mass385.22
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2nc(CN(C)C3CCC(C)CC3)cs2)c1
InChIInChI=1S/C22H31N3OS/c1-15-6-9-19(10-7-15)25(4)13-18-14-27-22(23-18)12-21(26)24-20-11-16(2)5-8-17(20)3/h5,8,11,14-15,19H,6-7,9-10,12-13H2,1-4H3,(H,24,26)
InChIKeyYQYAUGQRPWXOLH-UHFFFAOYSA-N
XLogP4.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78807710
2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
CID 78822945
1-[[2-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119908677
2-[4-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 78817863
2-[4-[(4-acetamidophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
CID 2567540
N-(2,5-dimethylphenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38884969
N-(2,5-dimethylphenyl)-2-[4-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78807716
2-[4-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 78826317
[2-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 6-chloropyridine-3-carboxylate
CID 2650572
2-[4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 78826443
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62418324
[2-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 167873534

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 78807365) is N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is Cc1ccc(C)c(NC(=O)Cc2nc(CN(C)C3CCC(C)CC3)cs2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is YQYAUGQRPWXOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3OS/c1-15-6-9-19(10-7-15)25(4)13-18-14-27-22(23-18)12-21(26)24-20-11-16(2)5-8-17(20)3/h5,8,11,14-15,19H,6-7,9-10,12-13H2,1-4H3,(H,24,26).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 385.58 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-[[methyl-(4-methylcyclohexyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78807365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).