2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide

C15H15N3O3S — CID 38305931

IUPAC2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC[C@@H]2Cc3ccccc3O2)cs1
InChIInChI=1S/C15H15N3O3S/c1-9(19)17-15-18-12(8-22-15)14(20)16-7-11-6-10-4-2-3-5-13(10)21-11/h2-5,8,11H,6-7H2,1H3,(H,16,20)(H,17,18,19)/t11-/m0/s1
InChIKeyCDCILWBDYIEGKI-NSHDSACASA-N
MW317.37 g/mol
LogP1.84
Rot. Bonds4

About 2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 38305931) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID38305931
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC[C@@H]2Cc3ccccc3O2)cs1
InChIInChI=1S/C15H15N3O3S/c1-9(19)17-15-18-12(8-22-15)14(20)16-7-11-6-10-4-2-3-5-13(10)21-11/h2-5,8,11H,6-7H2,1H3,(H,16,20)(H,17,18,19)/t11-/m0/s1
InChIKeyCDCILWBDYIEGKI-NSHDSACASA-N
XLogP1.84
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47121329
5-acetyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
CID 94096638
4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
CID 62232678
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375386
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 37298431
5-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-2-carboxamide
CID 39237368
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55621178
(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26690824
5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
CID 63719130
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-hydroxypentanamide
CID 79210222
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide (CID 38305931) is 2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NC[C@@H]2Cc3ccccc3O2)cs1.
What is the InChIKey of 2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CDCILWBDYIEGKI-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9(19)17-15-18-12(8-22-15)14(20)16-7-11-6-10-4-2-3-5-13(10)21-11/h2-5,8,11H,6-7H2,1H3,(H,16,20)(H,17,18,19)/t11-/m0/s1.
What are the key properties of 2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38305931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).