N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide

C16H20N4O2S — CID 110450916

IUPACN-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)Cc2csc(CCN)n2)c1
InChIInChI=1S/C16H20N4O2S/c1-10-3-4-12(18-11(2)21)7-14(10)20-15(22)8-13-9-23-16(19-13)5-6-17/h3-4,7,9H,5-6,8,17H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyZQUSVCKWOGNHAN-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.09
Rot. Bonds6

About N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide

N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110450916) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110450916
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)Cc2csc(CCN)n2)c1
InChIInChI=1S/C16H20N4O2S/c1-10-3-4-12(18-11(2)21)7-14(10)20-15(22)8-13-9-23-16(19-13)5-6-17/h3-4,7,9H,5-6,8,17H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyZQUSVCKWOGNHAN-UHFFFAOYSA-N
XLogP2.09
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-(2,4-dichlorophenyl)acetamide
CID 110450895
N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
CID 66376845
N-(5-chloro-2-methylphenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389683
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)acetamide
CID 82547746
2-[4-[(4-acetamidophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
CID 2567540
N-(5-acetamido-2-fluorophenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069303
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547722
N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389584
N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120617186
methyl 4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 110450768
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(2,5-dichlorophenyl)acetamide
CID 110450896
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110450657

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide (CID 110450916) is N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide is CC(=O)Nc1ccc(C)c(NC(=O)Cc2csc(CCN)n2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is ZQUSVCKWOGNHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-3-4-12(18-11(2)21)7-14(10)20-15(22)8-13-9-23-16(19-13)5-6-17/h3-4,7,9H,5-6,8,17H2,1-2H3,(H,18,21)(H,20,22).
What are the key properties of N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide?
N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110450916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).