N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C18H16N4O2S — CID 91789807

IUPACN-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1csc(-c2cnccn2)n1)C1Cc2ccccc2O1
InChIInChI=1S/C18H16N4O2S/c23-17(16-9-12-3-1-2-4-15(12)24-16)21-6-5-13-11-25-18(22-13)14-10-19-7-8-20-14/h1-4,7-8,10-11,16H,5-6,9H2,(H,21,23)
InChIKeyLOTNEGHKROGXTK-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.26
Rot. Bonds5

About N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 91789807) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID91789807
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCCc1csc(-c2cnccn2)n1)C1Cc2ccccc2O1
InChIInChI=1S/C18H16N4O2S/c23-17(16-9-12-3-1-2-4-15(12)24-16)21-6-5-13-11-25-18(22-13)14-10-19-7-8-20-14/h1-4,7-8,10-11,16H,5-6,9H2,(H,21,23)
InChIKeyLOTNEGHKROGXTK-UHFFFAOYSA-N
XLogP2.26
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47153707
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 97139216
(2R)-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95294009
(3S)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 36821432
(3S)-N-(2-pyrazin-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 29180371
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 55612992
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95140572
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 91782331
N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51103556

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 91789807) is N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCCc1csc(-c2cnccn2)n1)C1Cc2ccccc2O1.
What is the InChIKey of N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is LOTNEGHKROGXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c23-17(16-9-12-3-1-2-4-15(12)24-16)21-6-5-13-11-25-18(22-13)14-10-19-7-8-20-14/h1-4,7-8,10-11,16H,5-6,9H2,(H,21,23).
What are the key properties of N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91789807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).