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

C19H18N4OS — CID 95140572

IUPAC2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(C[C@H]1CCc2ccccc21)NCc1csc(-c2cnccn2)n1
InChIInChI=1S/C19H18N4OS/c24-18(9-14-6-5-13-3-1-2-4-16(13)14)22-10-15-12-25-19(23-15)17-11-20-7-8-21-17/h1-4,7-8,11-12,14H,5-6,9-10H2,(H,22,24)/t14-/m1/s1
InChIKeyKLPAZDDBXDTVAA-CQSZACIVSA-N
MW350.45 g/mol
LogP3.34
Rot. Bonds5

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

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 95140572) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID95140572
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(C[C@H]1CCc2ccccc21)NCc1csc(-c2cnccn2)n1
InChIInChI=1S/C19H18N4OS/c24-18(9-14-6-5-13-3-1-2-4-16(13)14)22-10-15-12-25-19(23-15)17-11-20-7-8-21-17/h1-4,7-8,11-12,14H,5-6,9-10H2,(H,22,24)/t14-/m1/s1
InChIKeyKLPAZDDBXDTVAA-CQSZACIVSA-N
XLogP3.34
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 97139216
N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155502252
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(3-pyridin-3-yloxypropyl)acetamide
CID 97116698
1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide
CID 131902698
3-(2,5-dioxoimidazolidin-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 70772607
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97147318
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97113053
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131943695
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97149134
N-[(4-bromophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955694
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 72911353
N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 91789807

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 95140572) is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide is O=C(C[C@H]1CCc2ccccc21)NCc1csc(-c2cnccn2)n1.
What is the InChIKey of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is KLPAZDDBXDTVAA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18N4OS/c24-18(9-14-6-5-13-3-1-2-4-16(13)14)22-10-15-12-25-19(23-15)17-11-20-7-8-21-17/h1-4,7-8,11-12,14H,5-6,9-10H2,(H,22,24)/t14-/m1/s1.
What are the key properties of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 350.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 95140572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).