N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide

C17H15N3O3S — CID 97042469

IUPACN-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccc2nsnc2c1
InChIInChI=1S/C17H15N3O3S/c21-15(10-2-4-16-11(7-10)5-6-23-16)9-18-17(22)12-1-3-13-14(8-12)20-24-19-13/h1-4,7-8,15,21H,5-6,9H2,(H,18,22)/t15-/m0/s1
InChIKeyREWOOZUGDGYZAC-HNNXBMFYSA-N
MW341.39 g/mol
LogP2.09
Rot. Bonds4

About N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide

N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 97042469) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID97042469
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccc2nsnc2c1
InChIInChI=1S/C17H15N3O3S/c21-15(10-2-4-16-11(7-10)5-6-23-16)9-18-17(22)12-1-3-13-14(8-12)20-24-19-13/h1-4,7-8,15,21H,5-6,9H2,(H,18,22)/t15-/m0/s1
InChIKeyREWOOZUGDGYZAC-HNNXBMFYSA-N
XLogP2.09
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 97042469) is N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide is O=C(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccc2nsnc2c1.
What is the InChIKey of N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is REWOOZUGDGYZAC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-15(10-2-4-16-11(7-10)5-6-23-16)9-18-17(22)12-1-3-13-14(8-12)20-24-19-13/h1-4,7-8,15,21H,5-6,9H2,(H,18,22)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 97042469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).