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

C23H26N2O2S — CID 141363051

IUPACN-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCOc1cc(-c2nc(Nc3ccc(C)c(C)c3)sc2C)cc2c1OC(C)(C)C2
InChIInChI=1S/C23H26N2O2S/c1-13-7-8-18(9-14(13)2)24-22-25-20(15(3)28-22)16-10-17-12-23(4,5)27-21(17)19(11-16)26-6/h7-11H,12H2,1-6H3,(H,24,25)
InChIKeyZJJLOBBKVRIJTG-UHFFFAOYSA-N
MW394.54 g/mol
LogP6.20
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 141363051) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
PubChem CID141363051
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCOc1cc(-c2nc(Nc3ccc(C)c(C)c3)sc2C)cc2c1OC(C)(C)C2
InChIInChI=1S/C23H26N2O2S/c1-13-7-8-18(9-14(13)2)24-22-25-20(15(3)28-22)16-10-17-12-23(4,5)27-21(17)19(11-16)26-6/h7-11H,12H2,1-6H3,(H,24,25)
InChIKeyZJJLOBBKVRIJTG-UHFFFAOYSA-N
XLogP6.20
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 141294368
N-(6-methoxycyclohexa-1,5-dien-1-yl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 163810231
N-(3-chloro-4-fluorophenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,3-thiazol-2-amine
CID 141248403
2-chloro-N-[4-(2,2-dimethyl-7-propoxy-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 141366986
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-bromophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126054464
methyl 4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoate
CID 1111716
N-(3,5-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055578
4-methyl-1-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059125
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoic acid
CID 780810
4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 23882311
4-(2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 62326333

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine (CID 141363051) is N-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine is COc1cc(-c2nc(Nc3ccc(C)c(C)c3)sc2C)cc2c1OC(C)(C)C2.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is ZJJLOBBKVRIJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-13-7-8-18(9-14(13)2)24-22-25-20(15(3)28-22)16-10-17-12-23(4,5)27-21(17)19(11-16)26-6/h7-11H,12H2,1-6H3,(H,24,25).
What are the key properties of N-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine?
N-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 394.54 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 141363051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).