4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine

C15H13N3S — CID 697284

IUPAC4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C15H13N3S/c16-12-6-8-13(9-7-12)17-15-18-14(10-19-15)11-4-2-1-3-5-11/h1-10H,16H2,(H,17,18)
InChIKeyUCTKBXRPOAHLQM-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.14
Rot. Bonds3

About 4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine

4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine (PubChem CID 697284) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine
PubChem CID697284
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C15H13N3S/c16-12-6-8-13(9-7-12)17-15-18-14(10-19-15)11-4-2-1-3-5-11/h1-10H,16H2,(H,17,18)
InChIKeyUCTKBXRPOAHLQM-UHFFFAOYSA-N
XLogP4.14
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine (CID 697284) is 4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine is Nc1ccc(Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine?
The InChIKey is UCTKBXRPOAHLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c16-12-6-8-13(9-7-12)17-15-18-14(10-19-15)11-4-2-1-3-5-11/h1-10H,16H2,(H,17,18).
What are the key properties of 4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine?
4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine has a molecular weight of 267.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 697284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).