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

C14H12N2O3S — CID 47121329

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2Cc3ccccc3O2)n1
InChIInChI=1S/C14H12N2O3S/c1-8(17)10-7-20-14(15-10)16-13(18)12-6-9-4-2-3-5-11(9)19-12/h2-5,7,12H,6H2,1H3,(H,15,16,18)
InChIKeyBODJWVOUKQHQGD-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.29
Rot. Bonds3

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

N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 47121329) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID47121329
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2Cc3ccccc3O2)n1
InChIInChI=1S/C14H12N2O3S/c1-8(17)10-7-20-14(15-10)16-13(18)12-6-9-4-2-3-5-11(9)19-12/h2-5,7,12H,6H2,1H3,(H,15,16,18)
InChIKeyBODJWVOUKQHQGD-UHFFFAOYSA-N
XLogP2.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26690824
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
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51230019
2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 38305931
(2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26707892
(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64557137
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoate
CID 167797770
ethyl 2-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 47006872
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 47121329) is N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(=O)c1csc(NC(=O)C2Cc3ccccc3O2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is BODJWVOUKQHQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-8(17)10-7-20-14(15-10)16-13(18)12-6-9-4-2-3-5-11(9)19-12/h2-5,7,12H,6H2,1H3,(H,15,16,18).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47121329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).