2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C21H26N4O2S — CID 108745706

IUPAC2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3ncc(CN4CCCCC4C)s3)noc2c1
InChIInChI=1S/C21H26N4O2S/c1-13-8-14(2)20-17(24-27-18(20)9-13)10-19(26)23-21-22-11-16(28-21)12-25-7-5-4-6-15(25)3/h8-9,11,15H,4-7,10,12H2,1-3H3,(H,22,23,26)
InChIKeyXDXWHCREDAIAHH-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.46
Rot. Bonds5

About 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 108745706) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID108745706
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3ncc(CN4CCCCC4C)s3)noc2c1
InChIInChI=1S/C21H26N4O2S/c1-13-8-14(2)20-17(24-27-18(20)9-13)10-19(26)23-21-22-11-16(28-21)12-25-7-5-4-6-15(25)3/h8-9,11,15H,4-7,10,12H2,1-3H3,(H,22,23,26)
InChIKeyXDXWHCREDAIAHH-UHFFFAOYSA-N
XLogP4.46
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745708
N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794252
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108806611
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108768000
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108800608
2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745667
2-(2-methoxyethoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745632
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 108806066
N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 108767902
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108802091
2,3,4-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108745642
N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 108778404

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 108745706) is 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1cc(C)c2c(CC(=O)Nc3ncc(CN4CCCCC4C)s3)noc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XDXWHCREDAIAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-13-8-14(2)20-17(24-27-18(20)9-13)10-19(26)23-21-22-11-16(28-21)12-25-7-5-4-6-15(25)3/h8-9,11,15H,4-7,10,12H2,1-3H3,(H,22,23,26).
What are the key properties of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 398.53 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 108745706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).