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

C13H12N2O2S — CID 26690824

IUPAC(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1csc(NC(=O)[C@H]2Cc3ccccc3O2)n1
InChIInChI=1S/C13H12N2O2S/c1-8-7-18-13(14-8)15-12(16)11-6-9-4-2-3-5-10(9)17-11/h2-5,7,11H,6H2,1H3,(H,14,15,16)/t11-/m1/s1
InChIKeyTUBFROCSILKXSW-LLVKDONJSA-N
MW260.32 g/mol
LogP2.39
Rot. Bonds2

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

(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 26690824) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is (2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID26690824
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1csc(NC(=O)[C@H]2Cc3ccccc3O2)n1
InChIInChI=1S/C13H12N2O2S/c1-8-7-18-13(14-8)15-12(16)11-6-9-4-2-3-5-10(9)17-11/h2-5,7,11H,6H2,1H3,(H,14,15,16)/t11-/m1/s1
InChIKeyTUBFROCSILKXSW-LLVKDONJSA-N
XLogP2.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47121329
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64558448
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47163706
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoate
CID 167797770
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51230019
(2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26707892
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
N-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698841
(2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25492097
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134049099
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 26690824) is (2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1csc(NC(=O)[C@H]2Cc3ccccc3O2)n1.
What is the InChIKey of (2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is TUBFROCSILKXSW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-8-7-18-13(14-8)15-12(16)11-6-9-4-2-3-5-10(9)17-11/h2-5,7,11H,6H2,1H3,(H,14,15,16)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26690824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).