N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine

C20H18ClFN2O2S — CID 141248403

IUPACN-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine
SMILESCOc1cc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)cc2c1OC(C)(C)C2
InChIInChI=1S/C20H18ClFN2O2S/c1-20(2)9-12-6-11(7-17(25-3)18(12)26-20)16-10-27-19(24-16)23-13-4-5-15(22)14(21)8-13/h4-8,10H,9H2,1-3H3,(H,23,24)
InChIKeyXRGWEJQQNULDLS-UHFFFAOYSA-N
MW404.89 g/mol
LogP6.07
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine

N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine (PubChem CID 141248403) has the molecular formula C20H18ClFN2O2S and a molecular weight of 404.89 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine
PubChem CID141248403
Molecular FormulaC20H18ClFN2O2S
Molecular Weight404.89 g/mol
Exact Mass404.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine
SMILESCOc1cc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)cc2c1OC(C)(C)C2
InChIInChI=1S/C20H18ClFN2O2S/c1-20(2)9-12-6-11(7-17(25-3)18(12)26-20)16-10-27-19(24-16)23-13-4-5-15(22)14(21)8-13/h4-8,10H,9H2,1-3H3,(H,23,24)
InChIKeyXRGWEJQQNULDLS-UHFFFAOYSA-N
XLogP6.07
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.89
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-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

4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 141248401
N-(4-chlorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 141294368
N-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 141363051
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 142697325
4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194851
2,2-dichloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetamide
CID 141367023
4-bromo-2-[[4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-yl]iminomethyl]phenol
CID 163817113
4-[4-(butylamino)phenyl]-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 163907531
N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
N-[[4-[2-(3-chloro-4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343278
4-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624674
N-(4-bromo-3-chlorophenyl)-4-(3,4-difluorophenyl)-1,3-thiazol-2-amine
CID 10157905

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine (CID 141248403) is N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine is COc1cc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)cc2c1OC(C)(C)C2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine?
The InChIKey is XRGWEJQQNULDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2S/c1-20(2)9-12-6-11(7-17(25-3)18(12)26-20)16-10-27-19(24-16)23-13-4-5-15(22)14(21)8-13/h4-8,10H,9H2,1-3H3,(H,23,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine?
N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine has a molecular weight of 404.89 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 141248403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).