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

C16H13IN2S — CID 560642

IUPAC4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(I)cc3)cs2)c1
InChIInChI=1S/C16H13IN2S/c1-11-3-2-4-14(9-11)18-16-19-15(10-20-16)12-5-7-13(17)8-6-12/h2-10H,1H3,(H,18,19)
InChIKeyINWDJBOQVXNVNN-UHFFFAOYSA-N
MW392.27 g/mol
LogP5.47
Rot. Bonds3

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

4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 560642) has the molecular formula C16H13IN2S and a molecular weight of 392.27 g/mol. Its IUPAC name is 4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
PubChem CID560642
Molecular FormulaC16H13IN2S
Molecular Weight392.27 g/mol
Exact Mass391.98
IUPAC Name4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3ccc(I)cc3)cs2)c1
InChIInChI=1S/C16H13IN2S/c1-11-3-2-4-14(9-11)18-16-19-15(10-20-16)12-5-7-13(17)8-6-12/h2-10H,1H3,(H,18,19)
InChIKeyINWDJBOQVXNVNN-UHFFFAOYSA-N
XLogP5.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.27
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
3-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 873220
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
4-(2-fluoro-5-methylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 71396303
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one
CID 47092547
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
N-[3-[2-(3-methylanilino)-1,3-thiazol-4-yl]phenyl]thiophene-2-carboxamide
CID 5039153
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine (CID 560642) is 4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3ccc(I)cc3)cs2)c1.
What is the InChIKey of 4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is INWDJBOQVXNVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2S/c1-11-3-2-4-14(9-11)18-16-19-15(10-20-16)12-5-7-13(17)8-6-12/h2-10H,1H3,(H,18,19).
What are the key properties of 4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine?
4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 392.27 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 560642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).