3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium

C18H33N4O2S+ — CID 7411294

IUPAC3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium
SMILESCCCC[C@@H](CC)C(=O)N(CCC[NH+](C)C)CC(=O)Nc1nccs1
InChIInChI=1S/C18H32N4O2S/c1-5-7-9-15(6-2)17(24)22(12-8-11-21(3)4)14-16(23)20-18-19-10-13-25-18/h10,13,15H,5-9,11-12,14H2,1-4H3,(H,19,20,23)/p+1/t15-/m1/s1
InChIKeySSFIYFHZIWVOED-OAHLLOKOSA-O
MW369.56 g/mol
LogP1.66
Rot. Bonds12

About 3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium

3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium (PubChem CID 7411294) has the molecular formula C18H33N4O2S+ and a molecular weight of 369.56 g/mol. Its IUPAC name is 3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium
PubChem CID7411294
Molecular FormulaC18H33N4O2S+
Molecular Weight369.56 g/mol
Exact Mass369.23
IUPAC Name3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium
SMILESCCCC[C@@H](CC)C(=O)N(CCC[NH+](C)C)CC(=O)Nc1nccs1
InChIInChI=1S/C18H32N4O2S/c1-5-7-9-15(6-2)17(24)22(12-8-11-21(3)4)14-16(23)20-18-19-10-13-25-18/h10,13,15H,5-9,11-12,14H2,1-4H3,(H,19,20,23)/p+1/t15-/m1/s1
InChIKeySSFIYFHZIWVOED-OAHLLOKOSA-O
XLogP1.66
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.56
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium with MolForge

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Related Compounds

(2R)-N-(cyclopropylmethyl)-2-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]hexanamide
CID 7361230
2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium
CID 7283650
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
2-chloro-N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 3412435
ethyl 4-oxo-4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-pentylamino]butanoate
CID 3700860
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659
N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide
CID 3557830
N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide
CID 5169244
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2-thiophen-2-ylacetamide
CID 5085333
N-tert-butyl-4-butyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4067037
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid
CID 61008690
2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 813261

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium?
The IUPAC name of 3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium (CID 7411294) is 3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium?
The canonical SMILES for 3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium is CCCC[C@@H](CC)C(=O)N(CCC[NH+](C)C)CC(=O)Nc1nccs1.
What is the InChIKey of 3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium?
The InChIKey is SSFIYFHZIWVOED-OAHLLOKOSA-O. The full InChI is InChI=1S/C18H32N4O2S/c1-5-7-9-15(6-2)17(24)22(12-8-11-21(3)4)14-16(23)20-18-19-10-13-25-18/h10,13,15H,5-9,11-12,14H2,1-4H3,(H,19,20,23)/p+1/t15-/m1/s1.
What are the key properties of 3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium?
3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium has a molecular weight of 369.56 g/mol, XLogP of 1.66, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium is sourced from PubChem (CID 7411294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).