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

C15H10ClIN2S — CID 2193688

IUPACN-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(-c3ccc(I)cc3)cs2)cc1
InChIInChI=1S/C15H10ClIN2S/c16-11-3-7-13(8-4-11)18-15-19-14(9-20-15)10-1-5-12(17)6-2-10/h1-9H,(H,18,19)
InChIKeyBMBZNMRPYGCKJB-UHFFFAOYSA-N
MW412.68 g/mol
LogP5.81
Rot. Bonds3

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

N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine (PubChem CID 2193688) has the molecular formula C15H10ClIN2S and a molecular weight of 412.68 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
PubChem CID2193688
Molecular FormulaC15H10ClIN2S
Molecular Weight412.68 g/mol
Exact Mass411.93
IUPAC NameN-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(-c3ccc(I)cc3)cs2)cc1
InChIInChI=1S/C15H10ClIN2S/c16-11-3-7-13(8-4-11)18-15-19-14(9-20-15)10-1-5-12(17)6-2-10/h1-9H,(H,18,19)
InChIKeyBMBZNMRPYGCKJB-UHFFFAOYSA-N
XLogP5.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.68
LogP ≤ 55.81
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

N-(4-bromophenyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 3551547
[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]methanol
CID 118713961
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
4-(4-chlorophenyl)-N-(6-chloro-3-pyridinyl)-1,3-thiazol-2-amine
CID 166340316
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564240
4-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 4149421
4-(3-chlorophenyl)-N-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 53338312
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-N-methylbenzamide
CID 46880291
4-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 118708824
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 58911132
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine (CID 2193688) is N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine is Clc1ccc(Nc2nc(-c3ccc(I)cc3)cs2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine?
The InChIKey is BMBZNMRPYGCKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClIN2S/c16-11-3-7-13(8-4-11)18-15-19-14(9-20-15)10-1-5-12(17)6-2-10/h1-9H,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine?
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine has a molecular weight of 412.68 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2193688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).