N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide

C9H14N4O2S — CID 110694057

IUPACN-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide
SMILESCC(=O)NCCNC(=O)CNc1nccs1
InChIInChI=1S/C9H14N4O2S/c1-7(14)10-2-3-11-8(15)6-13-9-12-4-5-16-9/h4-5H,2-3,6H2,1H3,(H,10,14)(H,11,15)(H,12,13)
InChIKeyAUBCWHUKCFHSEB-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.19
Rot. Bonds6

About N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide

N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide (PubChem CID 110694057) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide
PubChem CID110694057
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC NameN-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide
SMILESCC(=O)NCCNC(=O)CNc1nccs1
InChIInChI=1S/C9H14N4O2S/c1-7(14)10-2-3-11-8(15)6-13-9-12-4-5-16-9/h4-5H,2-3,6H2,1H3,(H,10,14)(H,11,15)(H,12,13)
InChIKeyAUBCWHUKCFHSEB-UHFFFAOYSA-N
XLogP-0.19
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(1,3-thiazol-2-ylamino)acetamide
CID 43399053
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
N-[2-(4-fluorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694023
N-butan-2-yl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110693984
N-pyrimidin-2-yl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694143
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
N-[2-(3-chlorophenyl)ethyl]-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694067
tert-butyl N-[2-(1,3-thiazol-2-ylamino)ethyl]carbamate
CID 115595638
methyl 3-(1,3-thiazol-2-ylamino)propanoate
CID 60658875
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
N-(2-bromo-4-methylphenyl)-2-(1,3-thiazol-2-ylamino)acetamide
CID 110694148
2-(1,3-thiazol-2-ylamino)acetaldehyde
CID 76551851

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide (CID 110694057) is N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide is CC(=O)NCCNC(=O)CNc1nccs1.
What is the InChIKey of N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide?
The InChIKey is AUBCWHUKCFHSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-7(14)10-2-3-11-8(15)6-13-9-12-4-5-16-9/h4-5H,2-3,6H2,1H3,(H,10,14)(H,11,15)(H,12,13).
What are the key properties of N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide?
N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide has a molecular weight of 242.30 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(1,3-thiazol-2-ylamino)acetamide is sourced from PubChem (CID 110694057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).