2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide

C20H20N4OS — CID 97139216

IUPAC2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(C[C@@H]1CCc2ccccc21)NCCc1csc(-c2cnccn2)n1
InChIInChI=1S/C20H20N4OS/c25-19(11-15-6-5-14-3-1-2-4-17(14)15)23-8-7-16-13-26-20(24-16)18-12-21-9-10-22-18/h1-4,9-10,12-13,15H,5-8,11H2,(H,23,25)/t15-/m0/s1
InChIKeyGLGGPPWQVSVJIV-HNNXBMFYSA-N
MW364.47 g/mol
LogP3.38
Rot. Bonds6

About 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 97139216) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID97139216
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(C[C@@H]1CCc2ccccc21)NCCc1csc(-c2cnccn2)n1
InChIInChI=1S/C20H20N4OS/c25-19(11-15-6-5-14-3-1-2-4-17(14)15)23-8-7-16-13-26-20(24-16)18-12-21-9-10-22-18/h1-4,9-10,12-13,15H,5-8,11H2,(H,23,25)/t15-/m0/s1
InChIKeyGLGGPPWQVSVJIV-HNNXBMFYSA-N
XLogP3.38
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95140572
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97149134
N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 91789807
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 97116698
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 136737625
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-imidazo[1,2-a]pyridin-3-ylethyl)acetamide
CID 50966574
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-phenoxypropyl)acetamide
CID 86955466
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97109779
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 95125863
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
N-[2-(pyrimidin-2-ylamino)ethyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95616906
3-(1,3-dihydroisoindol-2-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 91789084

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide (CID 97139216) is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide is O=C(C[C@@H]1CCc2ccccc21)NCCc1csc(-c2cnccn2)n1.
What is the InChIKey of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is GLGGPPWQVSVJIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N4OS/c25-19(11-15-6-5-14-3-1-2-4-17(14)15)23-8-7-16-13-26-20(24-16)18-12-21-9-10-22-18/h1-4,9-10,12-13,15H,5-8,11H2,(H,23,25)/t15-/m0/s1.
What are the key properties of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide?
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 364.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 97139216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).