N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide

C10H17N3OS — CID 82102676

IUPACN-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide
SMILESCC(=O)NCCCNCCc1nccs1
InChIInChI=1S/C10H17N3OS/c1-9(14)12-5-2-4-11-6-3-10-13-7-8-15-10/h7-8,11H,2-6H2,1H3,(H,12,14)
InChIKeyPPIVXRFMJXZMIN-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.80
Rot. Bonds7

About N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide

N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide (PubChem CID 82102676) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide
PubChem CID82102676
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide
SMILESCC(=O)NCCCNCCc1nccs1
InChIInChI=1S/C10H17N3OS/c1-9(14)12-5-2-4-11-6-3-10-13-7-8-15-10/h7-8,11H,2-6H2,1H3,(H,12,14)
InChIKeyPPIVXRFMJXZMIN-UHFFFAOYSA-N
XLogP0.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82103538
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240886
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine
CID 79823745
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
6-(1,3-thiazol-2-yl)hexan-2-one
CID 134309859
2,2-dimethyl-3-oxo-3-[2-(1,3-thiazol-2-yl)ethylamino]propanoic acid
CID 82820922
(2S)-2-amino-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 63239799
5-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid
CID 119235090
5-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 107910060
2-methyl-3-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119860322
N-(3-acetamidopropyl)acetamide
CID 5147555

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide?
The IUPAC name of N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide (CID 82102676) is N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide?
The canonical SMILES for N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide is CC(=O)NCCCNCCc1nccs1.
What is the InChIKey of N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide?
The InChIKey is PPIVXRFMJXZMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-9(14)12-5-2-4-11-6-3-10-13-7-8-15-10/h7-8,11H,2-6H2,1H3,(H,12,14).
What are the key properties of N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide?
N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide has a molecular weight of 227.33 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide is sourced from PubChem (CID 82102676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).