3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide

C20H21N5OS — CID 91789084

IUPAC3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCN1Cc2ccccc2C1)NCCc1csc(-c2ncccn2)n1
InChIInChI=1S/C20H21N5OS/c26-18(7-11-25-12-15-4-1-2-5-16(15)13-25)21-10-6-17-14-27-20(24-17)19-22-8-3-9-23-19/h1-5,8-9,14H,6-7,10-13H2,(H,21,26)
InChIKeyZDFATVUDGYAPQI-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.66
Rot. Bonds7

About 3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide

3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 91789084) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID91789084
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCN1Cc2ccccc2C1)NCCc1csc(-c2ncccn2)n1
InChIInChI=1S/C20H21N5OS/c26-18(7-11-25-12-15-4-1-2-5-16(15)13-25)21-10-6-17-14-27-20(24-17)19-22-8-3-9-23-19/h1-5,8-9,14H,6-7,10-13H2,(H,21,26)
InChIKeyZDFATVUDGYAPQI-UHFFFAOYSA-N
XLogP2.66
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
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N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
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7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide (CID 91789084) is 3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide is O=C(CCN1Cc2ccccc2C1)NCCc1csc(-c2ncccn2)n1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is ZDFATVUDGYAPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-18(7-11-25-12-15-4-1-2-5-16(15)13-25)21-10-6-17-14-27-20(24-17)19-22-8-3-9-23-19/h1-5,8-9,14H,6-7,10-13H2,(H,21,26).
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide?
3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 379.49 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 91789084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).