3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium

C19H33N4O2S+ — CID 7418057

IUPAC3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium
SMILESCc1csc(NC(=O)CN(CCC[NH+](C)C)C(=O)CCC2CCCC2)n1
InChIInChI=1S/C19H32N4O2S/c1-15-14-26-19(20-15)21-17(24)13-23(12-6-11-22(2)3)18(25)10-9-16-7-4-5-8-16/h14,16H,4-13H2,1-3H3,(H,20,21,24)/p+1
InChIKeyZVOSINORCAOPGE-UHFFFAOYSA-O
MW381.57 g/mol
LogP1.72
Rot. Bonds10

About 3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium

3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium (PubChem CID 7418057) has the molecular formula C19H33N4O2S+ and a molecular weight of 381.57 g/mol. Its IUPAC name is 3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium
PubChem CID7418057
Molecular FormulaC19H33N4O2S+
Molecular Weight381.57 g/mol
Exact Mass381.23
IUPAC Name3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium
SMILESCc1csc(NC(=O)CN(CCC[NH+](C)C)C(=O)CCC2CCCC2)n1
InChIInChI=1S/C19H32N4O2S/c1-15-14-26-19(20-15)21-17(24)13-23(12-6-11-22(2)3)18(25)10-9-16-7-4-5-8-16/h14,16H,4-13H2,1-3H3,(H,20,21,24)/p+1
InChIKeyZVOSINORCAOPGE-UHFFFAOYSA-O
XLogP1.72
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.57
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium with MolForge

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Related Compounds

3-cyclopentyl-N-(3-methoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42771431
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
CID 42769910
3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 4278865
3-cyclopentyl-N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 42771464
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 3558431
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 5184376
2-[acetyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 813891
N-(cyclohexylmethyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 4226698
N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 5078551
N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]nonanamide
CID 4188240
2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylpropanamide
CID 4063558
N-(4-acetyl-1,3-thiazol-2-yl)-3-cyclohexylpropanamide
CID 24634046

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium?
The IUPAC name of 3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium (CID 7418057) is 3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium?
The canonical SMILES for 3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium is Cc1csc(NC(=O)CN(CCC[NH+](C)C)C(=O)CCC2CCCC2)n1.
What is the InChIKey of 3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium?
The InChIKey is ZVOSINORCAOPGE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H32N4O2S/c1-15-14-26-19(20-15)21-17(24)13-23(12-6-11-22(2)3)18(25)10-9-16-7-4-5-8-16/h14,16H,4-13H2,1-3H3,(H,20,21,24)/p+1.
What are the key properties of 3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium?
3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium has a molecular weight of 381.57 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclopentylpropanoyl-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]propyl-dimethylazanium is sourced from PubChem (CID 7418057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).