2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium

C19H35N4O2S+ — CID 7430661

IUPAC2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium
SMILESCCCCCC(=O)N(CC[NH+](CC)CC)CC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C19H34N4O2S/c1-6-9-10-11-18(25)23(13-12-22(7-2)8-3)14-17(24)21-19-20-15(4)16(5)26-19/h6-14H2,1-5H3,(H,20,21,24)/p+1
InChIKeyWGFHDCWQPKKMAW-UHFFFAOYSA-O
MW383.58 g/mol
LogP2.03
Rot. Bonds12

About 2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium

2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium (PubChem CID 7430661) has the molecular formula C19H35N4O2S+ and a molecular weight of 383.58 g/mol. Its IUPAC name is 2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium
PubChem CID7430661
Molecular FormulaC19H35N4O2S+
Molecular Weight383.58 g/mol
Exact Mass383.25
IUPAC Name2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium
SMILESCCCCCC(=O)N(CC[NH+](CC)CC)CC(=O)Nc1nc(C)c(C)s1
InChIInChI=1S/C19H34N4O2S/c1-6-9-10-11-18(25)23(13-12-22(7-2)8-3)14-17(24)21-19-20-15(4)16(5)26-19/h6-14H2,1-5H3,(H,20,21,24)/p+1
InChIKeyWGFHDCWQPKKMAW-UHFFFAOYSA-O
XLogP2.03
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 52.03
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-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)heptanamide
CID 7271312
N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pentanamide
CID 4584251
N-[2-(dimethylamino)ethyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 3536258
N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide
CID 5181179
3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 108795401
3-cyclopentyl-N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 4278865
6-amino-N-cyclopropyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]hexanamide
CID 42793787
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
CID 42769910
N-cyclohexyl-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 4217524
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 3558431
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)butanamide
CID 7482410
3-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-[2-(4-methoxyphenyl)acetyl]amino]propyl-dimethylazanium
CID 7283838

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium?
The IUPAC name of 2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium (CID 7430661) is 2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium.
What is the SMILES notation for 2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium?
The canonical SMILES for 2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium is CCCCCC(=O)N(CC[NH+](CC)CC)CC(=O)Nc1nc(C)c(C)s1.
What is the InChIKey of 2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium?
The InChIKey is WGFHDCWQPKKMAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H34N4O2S/c1-6-9-10-11-18(25)23(13-12-22(7-2)8-3)14-17(24)21-19-20-15(4)16(5)26-19/h6-14H2,1-5H3,(H,20,21,24)/p+1.
What are the key properties of 2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium?
2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium has a molecular weight of 383.58 g/mol, XLogP of 2.03, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-hexanoylamino]ethyl-diethylazanium is sourced from PubChem (CID 7430661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).