2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole

C15H12FN3S — CID 91461732

IUPAC2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole
SMILESFCc1nc(C#CCCc2cccn3ccnc23)cs1
InChIInChI=1S/C15H12FN3S/c16-10-14-18-13(11-20-14)6-2-1-4-12-5-3-8-19-9-7-17-15(12)19/h3,5,7-9,11H,1,4,10H2
InChIKeyHUVWXPQOCAAHLT-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.24
Rot. Bonds3

About 2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole

2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole (PubChem CID 91461732) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole
PubChem CID91461732
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC Name2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole
SMILESFCc1nc(C#CCCc2cccn3ccnc23)cs1
InChIInChI=1S/C15H12FN3S/c16-10-14-18-13(11-20-14)6-2-1-4-12-5-3-8-19-9-7-17-15(12)19/h3,5,7-9,11H,1,4,10H2
InChIKeyHUVWXPQOCAAHLT-UHFFFAOYSA-N
XLogP3.24
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole?
The IUPAC name of 2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole (CID 91461732) is 2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole.
What is the SMILES notation for 2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole?
The canonical SMILES for 2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole is FCc1nc(C#CCCc2cccn3ccnc23)cs1.
What is the InChIKey of 2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole?
The InChIKey is HUVWXPQOCAAHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S/c16-10-14-18-13(11-20-14)6-2-1-4-12-5-3-8-19-9-7-17-15(12)19/h3,5,7-9,11H,1,4,10H2.
What are the key properties of 2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole?
2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole has a molecular weight of 285.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-(4-imidazo[1,2-a]pyridin-8-ylbut-1-ynyl)-1,3-thiazole is sourced from PubChem (CID 91461732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).