3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide

C18H12ClIN2OS — CID 4172401

IUPAC3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C18H12ClIN2OS/c19-15-4-2-1-3-12(15)7-10-17(23)22-18-21-16(11-24-18)13-5-8-14(20)9-6-13/h1-11H,(H,21,22,23)
InChIKeyHADJCRWDKYXJMA-UHFFFAOYSA-N
MW466.73 g/mol
LogP5.72
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide

3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 4172401) has the molecular formula C18H12ClIN2OS and a molecular weight of 466.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID4172401
Molecular FormulaC18H12ClIN2OS
Molecular Weight466.73 g/mol
Exact Mass465.94
IUPAC Name3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESO=C(C=Cc1ccccc1Cl)Nc1nc(-c2ccc(I)cc2)cs1
InChIInChI=1S/C18H12ClIN2OS/c19-15-4-2-1-3-12(15)7-10-17(23)22-18-21-16(11-24-18)13-5-8-14(20)9-6-13/h1-11H,(H,21,22,23)
InChIKeyHADJCRWDKYXJMA-UHFFFAOYSA-N
XLogP5.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.73
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4682996
(E)-3-(2-chlorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 2679319
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4138405
3-(2-nitrophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1304786
(E)-3-(2,4-dichlorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 6079591
[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 7786917
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4142769
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enamide
CID 1012057
3-(3,4-dichlorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4609730
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4161376
(E)-3-(2-chlorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 122286007
3-(2,4-dichlorophenyl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3638700

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 4172401) is 3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide is O=C(C=Cc1ccccc1Cl)Nc1nc(-c2ccc(I)cc2)cs1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is HADJCRWDKYXJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClIN2OS/c19-15-4-2-1-3-12(15)7-10-17(23)22-18-21-16(11-24-18)13-5-8-14(20)9-6-13/h1-11H,(H,21,22,23).
What are the key properties of 3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide?
3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 466.73 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 4172401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).