N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine

C18H15ClIN3S — CID 6371982

IUPACN-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine
SMILESCC/C(=N\Nc1nc(-c2ccc(I)cc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClIN3S/c1-2-16(12-3-7-14(19)8-4-12)22-23-18-21-17(11-24-18)13-5-9-15(20)10-6-13/h3-11H,2H2,1H3,(H,21,23)/b22-16+
InChIKeyOUUQWMMZMJPQQJ-CJLVFECKSA-N
MW467.76 g/mol
LogP6.29
Rot. Bonds5

About N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine

N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine (PubChem CID 6371982) has the molecular formula C18H15ClIN3S and a molecular weight of 467.76 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine
PubChem CID6371982
Molecular FormulaC18H15ClIN3S
Molecular Weight467.76 g/mol
Exact Mass466.97
IUPAC NameN-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine
SMILESCC/C(=N\Nc1nc(-c2ccc(I)cc2)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClIN3S/c1-2-16(12-3-7-14(19)8-4-12)22-23-18-21-17(11-24-18)13-5-9-15(20)10-6-13/h3-11H,2H2,1H3,(H,21,23)/b22-16+
InChIKeyOUUQWMMZMJPQQJ-CJLVFECKSA-N
XLogP6.29
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.76
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-1,3-thiazol-2-amine
CID 3499419
4-(4-chlorophenyl)-N-(propan-2-ylideneamino)-1,3-thiazol-2-amine
CID 17163601
N-[1-(4-chlorophenyl)ethylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136078
N-[(Z)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 177450317
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 6161650
N-[(E)-1-(3-bromophenyl)propylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 127034218
N-(4-chlorophenyl)-4-(4-iodophenyl)-1,3-thiazol-2-amine
CID 2193688
4-(4-chlorophenyl)-N-(1,3-diphenylpropan-2-ylideneamino)-1,3-thiazol-2-amine
CID 25014803
4-(4-chlorophenyl)-N-[1-(4-nitrophenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 2845173
4-(4-chlorophenyl)-N-[(Z)-1-(4,5-dimethoxy-2-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 6114841
(4Z)-4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1,1,1-trifluoro-4-naphthalen-2-ylbutan-2-one
CID 11038070
4-(4-chlorophenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]-1,3-thiazol-2-amine
CID 90486882

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine (CID 6371982) is N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine is CC/C(=N\Nc1nc(-c2ccc(I)cc2)cs1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine?
The InChIKey is OUUQWMMZMJPQQJ-CJLVFECKSA-N. The full InChI is InChI=1S/C18H15ClIN3S/c1-2-16(12-3-7-14(19)8-4-12)22-23-18-21-17(11-24-18)13-5-9-15(20)10-6-13/h3-11H,2H2,1H3,(H,21,23)/b22-16+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine?
N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine has a molecular weight of 467.76 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)propylideneamino]-4-(4-iodophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 6371982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).