N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide

C21H23N3O2S — CID 110389639

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)Cc1csc(CCc2ccncc2)n1
InChIInChI=1S/C21H23N3O2S/c1-26-19-5-3-2-4-17(19)10-13-23-20(25)14-18-15-27-21(24-18)7-6-16-8-11-22-12-9-16/h2-5,8-9,11-12,15H,6-7,10,13-14H2,1H3,(H,23,25)
InChIKeyJHKNRMXCXWJPAK-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.23
Rot. Bonds9

About N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide

N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110389639) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110389639
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)Cc1csc(CCc2ccncc2)n1
InChIInChI=1S/C21H23N3O2S/c1-26-19-5-3-2-4-17(19)10-13-23-20(25)14-18-15-27-21(24-18)7-6-16-8-11-22-12-9-16/h2-5,8-9,11-12,15H,6-7,10,13-14H2,1H3,(H,23,25)
InChIKeyJHKNRMXCXWJPAK-UHFFFAOYSA-N
XLogP3.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389528
N-[(2-methoxyphenyl)methyl]-2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389773
N-[2-(2-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648445
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443
N-(4-methoxyphenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389689
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18567652
3,5-dimethoxy-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841940
N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 74825048
N-(4-fluorophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389679
N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389610
N-[2-(2-methoxyphenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329884
(2R)-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 42590140

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide (CID 110389639) is N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide is COc1ccccc1CCNC(=O)Cc1csc(CCc2ccncc2)n1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is JHKNRMXCXWJPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-26-19-5-3-2-4-17(19)10-13-23-20(25)14-18-15-27-21(24-18)7-6-16-8-11-22-12-9-16/h2-5,8-9,11-12,15H,6-7,10,13-14H2,1H3,(H,23,25).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110389639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).