4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole

C14H14ClNOS — CID 64506573

IUPAC4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole
SMILESCC1(C)Cc2cccc(-c3nc(CCl)cs3)c2O1
InChIInChI=1S/C14H14ClNOS/c1-14(2)6-9-4-3-5-11(12(9)17-14)13-16-10(7-15)8-18-13/h3-5,8H,6-7H2,1-2H3
InChIKeyZFYMFVLPGHFXQH-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.26
Rot. Bonds2

About 4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole

4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole (PubChem CID 64506573) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole
PubChem CID64506573
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole
SMILESCC1(C)Cc2cccc(-c3nc(CCl)cs3)c2O1
InChIInChI=1S/C14H14ClNOS/c1-14(2)6-9-4-3-5-11(12(9)17-14)13-16-10(7-15)8-18-13/h3-5,8H,6-7H2,1-2H3
InChIKeyZFYMFVLPGHFXQH-UHFFFAOYSA-N
XLogP4.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole 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-[[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 64507015
4,6-dichloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-iodopyrimidine
CID 66311639
(2,2-dimethyl-3H-1-benzofuran-7-yl)methanamine
CID 18525713
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine
CID 64507252
5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine
CID 66296826
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine
CID 64506787
methyl 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole-5-carboxylate
CID 80573673
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64509038
[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol
CID 64508144
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methyl-4,5-dihydropyridazin-3-amine
CID 64691570
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine
CID 64507030
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylimidazol-4-amine
CID 64506808

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole (CID 64506573) is 4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole is CC1(C)Cc2cccc(-c3nc(CCl)cs3)c2O1.
What is the InChIKey of 4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole?
The InChIKey is ZFYMFVLPGHFXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-14(2)6-9-4-3-5-11(12(9)17-14)13-16-10(7-15)8-18-13/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole?
4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole has a molecular weight of 279.79 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole is sourced from PubChem (CID 64506573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).