N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C16H12IN3S — CID 168579078

IUPACN-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESIc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H12IN3S/c17-14-8-6-12(7-9-14)10-18-20-16-19-15(11-21-16)13-4-2-1-3-5-13/h1-11H,(H,19,20)
InChIKeyCJDDTMQQKMDJSV-UHFFFAOYSA-N
MW405.26 g/mol
LogP4.86
Rot. Bonds4

About N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168579078) has the molecular formula C16H12IN3S and a molecular weight of 405.26 g/mol. Its IUPAC name is N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168579078
Molecular FormulaC16H12IN3S
Molecular Weight405.26 g/mol
Exact Mass404.98
IUPAC NameN-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESIc1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C16H12IN3S/c17-14-8-6-12(7-9-14)10-18-20-16-19-15(11-21-16)13-4-2-1-3-5-13/h1-11H,(H,19,20)
InChIKeyCJDDTMQQKMDJSV-UHFFFAOYSA-N
XLogP4.86
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 54.86
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-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3295773
4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 7822015
4-phenyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 27273511
4-phenyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577407
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168577394
2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168576884
N-[[3-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578036
N-[[4-iodo-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577579

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168579078) is N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Ic1ccc(C=NNc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is CJDDTMQQKMDJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12IN3S/c17-14-8-6-12(7-9-14)10-18-20-16-19-15(11-21-16)13-4-2-1-3-5-13/h1-11H,(H,19,20).
What are the key properties of N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 405.26 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168579078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).