N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide

C14H17N3OS — CID 119383166

IUPACN-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
SMILESNCCNC(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C14H17N3OS/c15-6-7-16-13(18)9-12-10-19-14(17-12)8-11-4-2-1-3-5-11/h1-5,10H,6-9,15H2,(H,16,18)
InChIKeySVKLKOKHQBUDHD-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.35
Rot. Bonds6

About N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide

N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide (PubChem CID 119383166) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
PubChem CID119383166
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
SMILESNCCNC(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C14H17N3OS/c15-6-7-16-13(18)9-12-10-19-14(17-12)8-11-4-2-1-3-5-11/h1-5,10H,6-9,15H2,(H,16,18)
InChIKeySVKLKOKHQBUDHD-UHFFFAOYSA-N
XLogP1.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119619930
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 55803185
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
CID 95769499
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-fluorophenyl)acetamide
CID 38765206
2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 55652126
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 86991374
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556470
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-[2-(methylamino)ethyl]acetamide
CID 119501988
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-bromo-4-methylphenyl)acetamide
CID 55671045
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide (CID 119383166) is N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide is NCCNC(=O)Cc1csc(Cc2ccccc2)n1.
What is the InChIKey of N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is SVKLKOKHQBUDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-6-7-16-13(18)9-12-10-19-14(17-12)8-11-4-2-1-3-5-11/h1-5,10H,6-9,15H2,(H,16,18).
What are the key properties of N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide?
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 275.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 119383166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).