5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine

C15H13N3S — CID 622549

IUPAC5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESNc1ccc(-c2sc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C15H13N3S/c16-12-8-6-11(7-9-12)14-13(18-15(17)19-14)10-4-2-1-3-5-10/h1-9H,16H2,(H2,17,18)
InChIKeyFHGKRIDKBYFBBH-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.64
Rot. Bonds2

About 5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine

5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 622549) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID622549
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine
SMILESNc1ccc(-c2sc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C15H13N3S/c16-12-8-6-11(7-9-12)14-13(18-15(17)19-14)10-4-2-1-3-5-10/h1-9H,16H2,(H2,17,18)
InChIKeyFHGKRIDKBYFBBH-UHFFFAOYSA-N
XLogP3.64
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine (CID 622549) is 5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine is Nc1ccc(-c2sc(N)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is FHGKRIDKBYFBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c16-12-8-6-11(7-9-12)14-13(18-15(17)19-14)10-4-2-1-3-5-10/h1-9H,16H2,(H2,17,18).
What are the key properties of 5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine?
5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 267.36 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 622549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).