N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

C22H31N3OS — CID 55743704

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)NCCN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C22H31N3OS/c1-15-5-7-19(8-6-15)22-20(27-18(4)24-22)12-21(26)23-9-10-25-13-16(2)11-17(3)14-25/h5-8,16-17H,9-14H2,1-4H3,(H,23,26)
InChIKeyGBJXTRJWNJUVME-UHFFFAOYSA-N
MW385.58 g/mol
LogP4.06
Rot. Bonds6

About N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide

N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (PubChem CID 55743704) has the molecular formula C22H31N3OS and a molecular weight of 385.58 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
PubChem CID55743704
Molecular FormulaC22H31N3OS
Molecular Weight385.58 g/mol
Exact Mass385.22
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)NCCN2CC(C)CC(C)C2)cc1
InChIInChI=1S/C22H31N3OS/c1-15-5-7-19(8-6-15)22-20(27-18(4)24-22)12-21(26)23-9-10-25-13-16(2)11-17(3)14-25/h5-8,16-17H,9-14H2,1-4H3,(H,23,26)
InChIKeyGBJXTRJWNJUVME-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-pentylacetamide
CID 29435290
N-benzyl-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2461104
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 167857088
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 55743582
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 29435720
N,N-dimethyl-4-[[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]amino]methyl]benzamide
CID 134039142
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505154
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[(2R)-2-methyl-2-morpholin-4-ylbutyl]acetamide
CID 51951575
N-[(3-chlorophenyl)methyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 2107721
N-[4-(methylcarbamoylamino)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 46603407
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 26362303
N-(3-fluoro-4-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26415642

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide (CID 55743704) is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is Cc1ccc(-c2nc(C)sc2CC(=O)NCCN2CC(C)CC(C)C2)cc1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
The InChIKey is GBJXTRJWNJUVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3OS/c1-15-5-7-19(8-6-15)22-20(27-18(4)24-22)12-21(26)23-9-10-25-13-16(2)11-17(3)14-25/h5-8,16-17H,9-14H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide?
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide has a molecular weight of 385.58 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 55743704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).