N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine

C14H16N2OS — CID 65169646

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCC2Cc3ccccc3O2)sc1C
InChIInChI=1S/C14H16N2OS/c1-9-10(2)18-14(16-9)15-8-12-7-11-5-3-4-6-13(11)17-12/h3-6,12H,7-8H2,1-2H3,(H,15,16)
InChIKeyRSQBDDVCFUPPPT-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.18
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 65169646) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID65169646
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NCC2Cc3ccccc3O2)sc1C
InChIInChI=1S/C14H16N2OS/c1-9-10(2)18-14(16-9)15-8-12-7-11-5-3-4-6-13(11)17-12/h3-6,12H,7-8H2,1-2H3,(H,15,16)
InChIKeyRSQBDDVCFUPPPT-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine 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

methyl 2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569197
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 63208579
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304767
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-methylpyridazin-3-amine
CID 61311188
4-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80822499
4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline
CID 66348583
4-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-2-methylpyrimidine-5-carbaldehyde
CID 80726070
1-[5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363875
2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61045608
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612385
5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline
CID 66348972

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine (CID 65169646) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NCC2Cc3ccccc3O2)sc1C.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is RSQBDDVCFUPPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9-10(2)18-14(16-9)15-8-12-7-11-5-3-4-6-13(11)17-12/h3-6,12H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 260.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65169646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).