2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole

C19H10ClFN4S — CID 52946331

IUPAC2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(C#Cc3nccs3)nc2)[nH]1
InChIInChI=1S/C19H10ClFN4S/c20-14-2-1-3-15(21)18(14)19-24-11-16(25-19)12-4-5-13(23-10-12)6-7-17-22-8-9-26-17/h1-5,8-11H,(H,24,25)
InChIKeyNIWGYOONVDJCKM-UHFFFAOYSA-N
MW380.84 g/mol
LogP4.79
Rot. Bonds2

About 2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole

2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole (PubChem CID 52946331) has the molecular formula C19H10ClFN4S and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole
PubChem CID52946331
Molecular FormulaC19H10ClFN4S
Molecular Weight380.84 g/mol
Exact Mass380.03
IUPAC Name2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(C#Cc3nccs3)nc2)[nH]1
InChIInChI=1S/C19H10ClFN4S/c20-14-2-1-3-15(21)18(14)19-24-11-16(25-19)12-4-5-13(23-10-12)6-7-17-22-8-9-26-17/h1-5,8-11H,(H,24,25)
InChIKeyNIWGYOONVDJCKM-UHFFFAOYSA-N
XLogP4.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 54.79
H-Bond Donors ≤ 51
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-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole?
The IUPAC name of 2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole (CID 52946331) is 2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole?
The canonical SMILES for 2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole is Fc1cccc(Cl)c1-c1ncc(-c2ccc(C#Cc3nccs3)nc2)[nH]1.
What is the InChIKey of 2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole?
The InChIKey is NIWGYOONVDJCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClFN4S/c20-14-2-1-3-15(21)18(14)19-24-11-16(25-19)12-4-5-13(23-10-12)6-7-17-22-8-9-26-17/h1-5,8-11H,(H,24,25).
What are the key properties of 2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole?
2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole has a molecular weight of 380.84 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]ethynyl]-1,3-thiazole is sourced from PubChem (CID 52946331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).