N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C19H17N3O2S — CID 55612992

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)NCC1Cc2ccccc2O1
InChIInChI=1S/C19H17N3O2S/c23-18(21-11-15-9-13-5-1-2-7-17(13)24-15)10-14-12-25-19(22-14)16-6-3-4-8-20-16/h1-8,12,15H,9-11H2,(H,21,23)
InChIKeyUHMYBFWIMUHKGT-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.87
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55612992) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55612992
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccn2)n1)NCC1Cc2ccccc2O1
InChIInChI=1S/C19H17N3O2S/c23-18(21-11-15-9-13-5-1-2-7-17(13)24-15)10-14-12-25-19(22-14)16-6-3-4-8-20-16/h1-8,12,15H,9-11H2,(H,21,23)
InChIKeyUHMYBFWIMUHKGT-UHFFFAOYSA-N
XLogP2.87
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 55612992) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccn2)n1)NCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is UHMYBFWIMUHKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-18(21-11-15-9-13-5-1-2-7-17(13)24-15)10-14-12-25-19(22-14)16-6-3-4-8-20-16/h1-8,12,15H,9-11H2,(H,21,23).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 351.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55612992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).