N-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum

C23H15N4PtS2- — CID 167357252

IUPACN-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum
SMILES[Pt].[c-]1ccsc1-c1cccc(N(c2ccccc2)c2cccc(-c3nccs3)n2)n1
InChIInChI=1S/C23H15N4S2.Pt/c1-2-7-17(8-3-1)27(21-12-4-9-18(25-21)20-11-6-15-28-20)22-13-5-10-19(26-22)23-24-14-16-29-23;/h1-10,12-16H;/q-1;
InChIKeyFRURBJYCFVVVHW-UHFFFAOYSA-N
MW606.61 g/mol
LogP6.60
Rot. Bonds5

About N-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum

N-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum (PubChem CID 167357252) has the molecular formula C23H15N4PtS2- and a molecular weight of 606.61 g/mol. Its IUPAC name is N-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum.

Molecular Properties

Compound NameN-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum
PubChem CID167357252
Molecular FormulaC23H15N4PtS2-
Molecular Weight606.61 g/mol
Exact Mass606.04
IUPAC NameN-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum
SMILES[Pt].[c-]1ccsc1-c1cccc(N(c2ccccc2)c2cccc(-c3nccs3)n2)n1
InChIInChI=1S/C23H15N4S2.Pt/c1-2-7-17(8-3-1)27(21-12-4-9-18(25-21)20-11-6-15-28-20)22-13-5-10-19(26-22)23-24-14-16-29-23;/h1-10,12-16H;/q-1;
InChIKeyFRURBJYCFVVVHW-UHFFFAOYSA-N
XLogP6.60
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.61
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum?
The IUPAC name of N-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum (CID 167357252) is N-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum.
What is the SMILES notation for N-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum?
The canonical SMILES for N-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum is [Pt].[c-]1ccsc1-c1cccc(N(c2ccccc2)c2cccc(-c3nccs3)n2)n1.
What is the InChIKey of N-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum?
The InChIKey is FRURBJYCFVVVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N4S2.Pt/c1-2-7-17(8-3-1)27(21-12-4-9-18(25-21)20-11-6-15-28-20)22-13-5-10-19(26-22)23-24-14-16-29-23;/h1-10,12-16H;/q-1;.
What are the key properties of N-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum?
N-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum has a molecular weight of 606.61 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-6-(3H-thiophen-3-id-2-yl)pyridin-2-amine;platinum is sourced from PubChem (CID 167357252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).