N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine

C21H16FN3S — CID 54581036

IUPACN-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine
SMILESFc1ncccc1-c1cnc(N(Cc2ccccc2)c2ccccc2)s1
InChIInChI=1S/C21H16FN3S/c22-20-18(12-7-13-23-20)19-14-24-21(26-19)25(17-10-5-2-6-11-17)15-16-8-3-1-4-9-16/h1-14H,15H2
InChIKeyMMCJCXDIZYOCBE-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.68
Rot. Bonds5

About N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine

N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine (PubChem CID 54581036) has the molecular formula C21H16FN3S and a molecular weight of 361.45 g/mol. Its IUPAC name is N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine
PubChem CID54581036
Molecular FormulaC21H16FN3S
Molecular Weight361.45 g/mol
Exact Mass361.10
IUPAC NameN-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine
SMILESFc1ncccc1-c1cnc(N(Cc2ccccc2)c2ccccc2)s1
InChIInChI=1S/C21H16FN3S/c22-20-18(12-7-13-23-20)19-14-24-21(26-19)25(17-10-5-2-6-11-17)15-16-8-3-1-4-9-16/h1-14H,15H2
InChIKeyMMCJCXDIZYOCBE-UHFFFAOYSA-N
XLogP5.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine (CID 54581036) is N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine is Fc1ncccc1-c1cnc(N(Cc2ccccc2)c2ccccc2)s1.
What is the InChIKey of N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is MMCJCXDIZYOCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3S/c22-20-18(12-7-13-23-20)19-14-24-21(26-19)25(17-10-5-2-6-11-17)15-16-8-3-1-4-9-16/h1-14H,15H2.
What are the key properties of N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine?
N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 361.45 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-fluoro-3-pyridinyl)-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 54581036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).