N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine

C20H18N4O2S — CID 58910748

IUPACN-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(-n4ccnc4)cc3)cs2)cc1OC
InChIInChI=1S/C20H18N4O2S/c1-25-18-8-5-15(11-19(18)26-2)22-20-23-17(12-27-20)14-3-6-16(7-4-14)24-10-9-21-13-24/h3-13H,1-2H3,(H,22,23)
InChIKeyREURIGONAYJYNZ-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.76
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine

N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 58910748) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
PubChem CID58910748
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(-n4ccnc4)cc3)cs2)cc1OC
InChIInChI=1S/C20H18N4O2S/c1-25-18-8-5-15(11-19(18)26-2)22-20-23-17(12-27-20)14-3-6-16(7-4-14)24-10-9-21-13-24/h3-13H,1-2H3,(H,22,23)
InChIKeyREURIGONAYJYNZ-UHFFFAOYSA-N
XLogP4.76
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine
CID 58910753
N-(4-bromophenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910449
N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910669
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910769
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
1-N-(3-ethyl-6-methyl-2-pyridinyl)-3-N-[4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine
CID 58910776
4-(4-imidazol-1-ylphenyl)-N-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910706
4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 142697325
4-(4-imidazol-1-ylphenyl)-N-(1H-indazol-3-yl)-1,3-thiazol-2-amine
CID 58911089
4-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624674
N-(4-imidazol-1-ylphenyl)-4-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214634
4-(4-imidazol-1-ylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58911143

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine (CID 58910748) is N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3ccc(-n4ccnc4)cc3)cs2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is REURIGONAYJYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-25-18-8-5-15(11-19(18)26-2)22-20-23-17(12-27-20)14-3-6-16(7-4-14)24-10-9-21-13-24/h3-13H,1-2H3,(H,22,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine?
N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 378.46 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58910748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).