4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one

C9H16N2OS — CID 104841403

IUPAC4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one
SMILESCCCNCc1sc(=O)[nH]c1CC
InChIInChI=1S/C9H16N2OS/c1-3-5-10-6-8-7(4-2)11-9(12)13-8/h10H,3-6H2,1-2H3,(H,11,12)
InChIKeyFGPRNSSIUKZTOG-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.50
Rot. Bonds5

About 4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one

4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one (PubChem CID 104841403) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one
PubChem CID104841403
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one
SMILESCCCNCc1sc(=O)[nH]c1CC
InChIInChI=1S/C9H16N2OS/c1-3-5-10-6-8-7(4-2)11-9(12)13-8/h10H,3-6H2,1-2H3,(H,11,12)
InChIKeyFGPRNSSIUKZTOG-UHFFFAOYSA-N
XLogP1.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 114365185
[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol
CID 104841463
N-[[4-ethyl-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 116633346
N-[[2-(ethylsulfonylmethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82426424
N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403726
N-[[4-ethyl-2-(1,3-thiazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841402
N-[[4-ethyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82429324
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
6-methyl-3-(propylaminomethyl)-1H-quinolin-2-one
CID 97057433
N-[[2-(1-ethoxyethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 113459642
N'-[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63725686
N-[[2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82434472

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one (CID 104841403) is 4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one is CCCNCc1sc(=O)[nH]c1CC.
What is the InChIKey of 4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one?
The InChIKey is FGPRNSSIUKZTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-5-10-6-8-7(4-2)11-9(12)13-8/h10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one?
4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one has a molecular weight of 200.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(propylaminomethyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 104841403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).