N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide

C16H20N4O2S — CID 110450412

IUPACN-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)NCCNC(=O)Cc1csc(-c2cccc(CN)c2)n1
InChIInChI=1S/C16H20N4O2S/c1-11(21)18-5-6-19-15(22)8-14-10-23-16(20-14)13-4-2-3-12(7-13)9-17/h2-4,7,10H,5-6,8-9,17H2,1H3,(H,18,21)(H,19,22)
InChIKeyOXWSOJQJWGMXEU-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.06
Rot. Bonds7

About N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide

N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 110450412) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID110450412
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)NCCNC(=O)Cc1csc(-c2cccc(CN)c2)n1
InChIInChI=1S/C16H20N4O2S/c1-11(21)18-5-6-19-15(22)8-14-10-23-16(20-14)13-4-2-3-12(7-13)9-17/h2-4,7,10H,5-6,8-9,17H2,1H3,(H,18,21)(H,19,22)
InChIKeyOXWSOJQJWGMXEU-UHFFFAOYSA-N
XLogP1.06
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide
CID 110450278
N-(2-acetamidoethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084427
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
2-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]-N-butylacetamide
CID 110342257
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119509228
2-[[2-[2-[4-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 110450285
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
N-(3-aminobutyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499385
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 82548086
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
N-(3-amino-2-methylpropyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119995232
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 110450412) is N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide is CC(=O)NCCNC(=O)Cc1csc(-c2cccc(CN)c2)n1.
What is the InChIKey of N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is OXWSOJQJWGMXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11(21)18-5-6-19-15(22)8-14-10-23-16(20-14)13-4-2-3-12(7-13)9-17/h2-4,7,10H,5-6,8-9,17H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110450412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).