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

C18H13IN4S — CID 58910753

IUPAC4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine
SMILESIc1ccc(Nc2nc(-c3ccc(-n4ccnc4)cc3)cs2)cc1
InChIInChI=1S/C18H13IN4S/c19-14-3-5-15(6-4-14)21-18-22-17(11-24-18)13-1-7-16(8-2-13)23-10-9-20-12-23/h1-12H,(H,21,22)
InChIKeyGWJTWYFUNHQOGT-UHFFFAOYSA-N
MW444.30 g/mol
LogP5.34
Rot. Bonds4

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

4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine (PubChem CID 58910753) has the molecular formula C18H13IN4S and a molecular weight of 444.30 g/mol. Its IUPAC name is 4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine
PubChem CID58910753
Molecular FormulaC18H13IN4S
Molecular Weight444.30 g/mol
Exact Mass443.99
IUPAC Name4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine
SMILESIc1ccc(Nc2nc(-c3ccc(-n4ccnc4)cc3)cs2)cc1
InChIInChI=1S/C18H13IN4S/c19-14-3-5-15(6-4-14)21-18-22-17(11-24-18)13-1-7-16(8-2-13)23-10-9-20-12-23/h1-12H,(H,21,22)
InChIKeyGWJTWYFUNHQOGT-UHFFFAOYSA-N
XLogP5.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.30
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910449
N-(3,4-dimethoxyphenyl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910748
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910769
N-(3H-benzimidazol-5-yl)-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910669
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
4-(4-imidazol-1-ylphenyl)-N-(1H-indazol-3-yl)-1,3-thiazol-2-amine
CID 58911089
N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910824
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-[2-methyl-5-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910706
N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 86580247
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-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58911143

Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine (CID 58910753) is 4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine is Ic1ccc(Nc2nc(-c3ccc(-n4ccnc4)cc3)cs2)cc1.
What is the InChIKey of 4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine?
The InChIKey is GWJTWYFUNHQOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13IN4S/c19-14-3-5-15(6-4-14)21-18-22-17(11-24-18)13-1-7-16(8-2-13)23-10-9-20-12-23/h1-12H,(H,21,22).
What are the key properties of 4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine?
4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine has a molecular weight of 444.30 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazol-1-ylphenyl)-N-(4-iodophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58910753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).