2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide

C17H21N3O2S — CID 119699067

IUPAC2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C17H21N3O2S/c1-3-7-17(2,18)15(21)20-16-19-13(10-23-16)11-4-5-14-12(9-11)6-8-22-14/h4-5,9-10H,3,6-8,18H2,1-2H3,(H,19,20,21)
InChIKeyOFFNTERMIGSVLY-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.20
Rot. Bonds5

About 2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide

2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide (PubChem CID 119699067) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide
PubChem CID119699067
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1
InChIInChI=1S/C17H21N3O2S/c1-3-7-17(2,18)15(21)20-16-19-13(10-23-16)11-4-5-14-12(9-11)6-8-22-14/h4-5,9-10H,3,6-8,18H2,1-2H3,(H,19,20,21)
InChIKeyOFFNTERMIGSVLY-UHFFFAOYSA-N
XLogP3.20
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide (CID 119699067) is 2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1.
What is the InChIKey of 2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide?
The InChIKey is OFFNTERMIGSVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-7-17(2,18)15(21)20-16-19-13(10-23-16)11-4-5-14-12(9-11)6-8-22-14/h4-5,9-10H,3,6-8,18H2,1-2H3,(H,19,20,21).
What are the key properties of 2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide?
2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide has a molecular weight of 331.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide is sourced from PubChem (CID 119699067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).