(2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

C17H14N2O3S — CID 124565914

IUPAC(2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@H]1c2ccccc2O[C@H]1C(=O)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C17H14N2O3S/c1-10-11-5-2-3-6-13(11)22-15(10)16(20)19-17-18-12(9-23-17)14-7-4-8-21-14/h2-10,15H,1H3,(H,18,19,20)/t10-,15+/m0/s1
InChIKeyHEVWVTDXMRCOFF-ZUZCIYMTSA-N
MW326.38 g/mol
LogP3.91
Rot. Bonds3

About (2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

(2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 124565914) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is (2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID124565914
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC Name(2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC[C@H]1c2ccccc2O[C@H]1C(=O)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C17H14N2O3S/c1-10-11-5-2-3-6-13(11)22-15(10)16(20)19-17-18-12(9-23-17)14-7-4-8-21-14/h2-10,15H,1H3,(H,18,19,20)/t10-,15+/m0/s1
InChIKeyHEVWVTDXMRCOFF-ZUZCIYMTSA-N
XLogP3.91
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 124565914) is (2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide is C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1nc(-c2ccco2)cs1.
What is the InChIKey of (2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is HEVWVTDXMRCOFF-ZUZCIYMTSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-10-11-5-2-3-6-13(11)22-15(10)16(20)19-17-18-12(9-23-17)14-7-4-8-21-14/h2-10,15H,1H3,(H,18,19,20)/t10-,15+/m0/s1.
What are the key properties of (2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 124565914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).