N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C18H18N4OS — CID 134017603

IUPACN-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCN(CCc1ccccn1)C(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C18H18N4OS/c1-22(11-8-14-6-2-4-9-19-14)17(23)12-15-13-24-18(21-15)16-7-3-5-10-20-16/h2-7,9-10,13H,8,11-12H2,1H3
InChIKeyJGDXJVPETJIERL-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.84
Rot. Bonds6

About N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 134017603) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID134017603
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCN(CCc1ccccn1)C(=O)Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C18H18N4OS/c1-22(11-8-14-6-2-4-9-19-14)17(23)12-15-13-24-18(21-15)16-7-3-5-10-20-16/h2-7,9-10,13H,8,11-12H2,1H3
InChIKeyJGDXJVPETJIERL-UHFFFAOYSA-N
XLogP2.84
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054093
N-methyl-N-(2-pyridin-4-ylethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329767
N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 134008734
N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329792
N-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 134017616
N-benzyl-N-propyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134059896
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 33163824
N-methyl-N-[1-(4-methylphenyl)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054242
N-ethyl-N-[2-[methyl(prop-2-enyl)amino]ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 122143636
N-benzyl-N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 39081023
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 120885555

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 134017603) is N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is CN(CCc1ccccn1)C(=O)Cc1csc(-c2ccccn2)n1.
What is the InChIKey of N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is JGDXJVPETJIERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-22(11-8-14-6-2-4-9-19-14)17(23)12-15-13-24-18(21-15)16-7-3-5-10-20-16/h2-7,9-10,13H,8,11-12H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 338.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 134017603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).