N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C20H13FN6S — CID 87078195

IUPACN-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESFc1ccc(-n2nc3ccc(Nc4nc(-c5cccnc5)cs4)cc3n2)cc1
InChIInChI=1S/C20H13FN6S/c21-14-3-6-16(7-4-14)27-25-17-8-5-15(10-18(17)26-27)23-20-24-19(12-28-20)13-2-1-9-22-11-13/h1-12H,(H,23,24)
InChIKeyULQGZAXVHLZCGO-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.82
Rot. Bonds4

About N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 87078195) has the molecular formula C20H13FN6S and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID87078195
Molecular FormulaC20H13FN6S
Molecular Weight388.43 g/mol
Exact Mass388.09
IUPAC NameN-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESFc1ccc(-n2nc3ccc(Nc4nc(-c5cccnc5)cs4)cc3n2)cc1
InChIInChI=1S/C20H13FN6S/c21-14-3-6-16(7-4-14)27-25-17-8-5-15(10-18(17)26-27)23-20-24-19(12-28-20)13-2-1-9-22-11-13/h1-12H,(H,23,24)
InChIKeyULQGZAXVHLZCGO-UHFFFAOYSA-N
XLogP4.82
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 87078195) is N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is Fc1ccc(-n2nc3ccc(Nc4nc(-c5cccnc5)cs4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is ULQGZAXVHLZCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6S/c21-14-3-6-16(7-4-14)27-25-17-8-5-15(10-18(17)26-27)23-20-24-19(12-28-20)13-2-1-9-22-11-13/h1-12H,(H,23,24).
What are the key properties of N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 388.43 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 87078195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).