N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide

C17H20N2O2S — CID 125165888

IUPACN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide
SMILESCc1nc(C)c(CC(=O)N(C)C[C@@H]2Cc3ccccc3O2)s1
InChIInChI=1S/C17H20N2O2S/c1-11-16(22-12(2)18-11)9-17(20)19(3)10-14-8-13-6-4-5-7-15(13)21-14/h4-7,14H,8-10H2,1-3H3/t14-/m0/s1
InChIKeyGXBSOOAITDIXRL-AWEZNQCLSA-N
MW316.43 g/mol
LogP2.76
Rot. Bonds4

About N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide

N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide (PubChem CID 125165888) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide
PubChem CID125165888
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide
SMILESCc1nc(C)c(CC(=O)N(C)C[C@@H]2Cc3ccccc3O2)s1
InChIInChI=1S/C17H20N2O2S/c1-11-16(22-12(2)18-11)9-17(20)19(3)10-14-8-13-6-4-5-7-15(13)21-14/h4-7,14H,8-10H2,1-3H3/t14-/m0/s1
InChIKeyGXBSOOAITDIXRL-AWEZNQCLSA-N
XLogP2.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 29023368
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 131901755
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 125176993
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-propyl-1,3-thiazole-4-carboxamide
CID 125161477
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide
CID 95137985
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 135095648
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-2-morpholin-4-ylbenzamide
CID 131922274
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 110651148
1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methyl-3-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 29152416
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 42155428
3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide
CID 99947024

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide?
The IUPAC name of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide (CID 125165888) is N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide.
What is the SMILES notation for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide?
The canonical SMILES for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide is Cc1nc(C)c(CC(=O)N(C)C[C@@H]2Cc3ccccc3O2)s1.
What is the InChIKey of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide?
The InChIKey is GXBSOOAITDIXRL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-16(22-12(2)18-11)9-17(20)19(3)10-14-8-13-6-4-5-7-15(13)21-14/h4-7,14H,8-10H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide?
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide has a molecular weight of 316.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylacetamide is sourced from PubChem (CID 125165888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).