N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C18H24N4OS — CID 122143636

IUPACN-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESC=CCN(C)CCN(CC)C(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C18H24N4OS/c1-4-10-21(3)11-12-22(5-2)17(23)13-15-14-24-18(20-15)16-8-6-7-9-19-16/h4,6-9,14H,1,5,10-13H2,2-3H3
InChIKeyCVCLPWCLKKWPSP-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.71
Rot. Bonds9

About N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 122143636) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID122143636
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESC=CCN(C)CCN(CC)C(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C18H24N4OS/c1-4-10-21(3)11-12-22(5-2)17(23)13-15-14-24-18(20-15)16-8-6-7-9-19-16/h4,6-9,14H,1,5,10-13H2,2-3H3
InChIKeyCVCLPWCLKKWPSP-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 46981951
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 46966380
N-benzyl-N-propyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134059896
N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134017603
N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054093
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054242
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 120885555
N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 39081023
N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329792
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34234720
N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 122144115
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 122143636) is N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is C=CCN(C)CCN(CC)C(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CVCLPWCLKKWPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-4-10-21(3)11-12-22(5-2)17(23)13-15-14-24-18(20-15)16-8-6-7-9-19-16/h4,6-9,14H,1,5,10-13H2,2-3H3.
What are the key properties of N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 122143636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).