N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide

C23H42N4O2S — CID 3557830

IUPACN-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(CCN(C)C)CC(=O)Nc1nccs1
InChIInChI=1S/C23H42N4O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29)27(18-17-26(2)3)20-21(28)25-23-24-16-19-30-23/h16,19H,4-15,17-18,20H2,1-3H3,(H,24,25,28)
InChIKeyDNOWHTZQOCBMKU-UHFFFAOYSA-N
MW438.68 g/mol
LogP5.17
Rot. Bonds18

About N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide

N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide (PubChem CID 3557830) has the molecular formula C23H42N4O2S and a molecular weight of 438.68 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide
PubChem CID3557830
Molecular FormulaC23H42N4O2S
Molecular Weight438.68 g/mol
Exact Mass438.30
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N(CCN(C)C)CC(=O)Nc1nccs1
InChIInChI=1S/C23H42N4O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29)27(18-17-26(2)3)20-21(28)25-23-24-16-19-30-23/h16,19H,4-15,17-18,20H2,1-3H3,(H,24,25,28)
InChIKeyDNOWHTZQOCBMKU-UHFFFAOYSA-N
XLogP5.17
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.68
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
N-(3-ethoxypropyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]octanamide
CID 5169244
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 3558431
N-(2-morpholin-4-ylethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]nonanamide
CID 4068648
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]-2-thiophen-2-ylacetamide
CID 5085333
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
N-[2-(dimethylamino)ethyl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]decanamide
CID 42664092
N-hexyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 5046659
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyldodecanamide
CID 42769910
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 5146409

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide (CID 3557830) is N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)N(CCN(C)C)CC(=O)Nc1nccs1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide?
The InChIKey is DNOWHTZQOCBMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(29)27(18-17-26(2)3)20-21(28)25-23-24-16-19-30-23/h16,19H,4-15,17-18,20H2,1-3H3,(H,24,25,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide?
N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide has a molecular weight of 438.68 g/mol, XLogP of 5.17, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]tetradecanamide is sourced from PubChem (CID 3557830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).