1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone

C20H20N4OS — CID 166293905

IUPAC1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone
SMILESCC(NCC(=O)N1Cc2ccccc2C1)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C20H20N4OS/c1-14(20-23-18(13-26-20)15-7-4-8-21-9-15)22-10-19(25)24-11-16-5-2-3-6-17(16)12-24/h2-9,13-14,22H,10-12H2,1H3
InChIKeyXXZGMWSUXVNNIN-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.40
Rot. Bonds5

About 1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone

1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone (PubChem CID 166293905) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone
PubChem CID166293905
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone
SMILESCC(NCC(=O)N1Cc2ccccc2C1)c1nc(-c2cccnc2)cs1
InChIInChI=1S/C20H20N4OS/c1-14(20-23-18(13-26-20)15-7-4-8-21-9-15)22-10-19(25)24-11-16-5-2-3-6-17(16)12-24/h2-9,13-14,22H,10-12H2,1H3
InChIKeyXXZGMWSUXVNNIN-UHFFFAOYSA-N
XLogP3.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide
CID 75457162
N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 86945543
1-(2-phenylethyl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]pyrrole-2-carboxamide
CID 86945618
(E)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 95312252
(Z)-N-[(1R)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-thiophen-3-ylprop-2-enamide
CID 97359861
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
CID 116965067
2-(cyclopropylmethylamino)-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119778952
2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 86945540
2-benzo[e][1]benzofuran-1-yl-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 86906340
(E)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 86936040
8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide
CID 97089517
4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 122031112

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone (CID 166293905) is 1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone is CC(NCC(=O)N1Cc2ccccc2C1)c1nc(-c2cccnc2)cs1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone?
The InChIKey is XXZGMWSUXVNNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-14(20-23-18(13-26-20)15-7-4-8-21-9-15)22-10-19(25)24-11-16-5-2-3-6-17(16)12-24/h2-9,13-14,22H,10-12H2,1H3.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone?
1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone has a molecular weight of 364.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone is sourced from PubChem (CID 166293905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).