4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

C17H10F2N2S — CID 16662193

IUPAC4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(-c3ccc(F)c(F)c3)nc2)cs1
InChIInChI=1S/C17H10F2N2S/c1-11-21-14(10-22-11)5-2-12-3-7-17(20-9-12)13-4-6-15(18)16(19)8-13/h3-4,6-10H,1H3
InChIKeyGQBOLRQEFSOSAI-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.19
Rot. Bonds1

About 4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (PubChem CID 16662193) has the molecular formula C17H10F2N2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
PubChem CID16662193
Molecular FormulaC17H10F2N2S
Molecular Weight312.34 g/mol
Exact Mass312.05
IUPAC Name4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(-c3ccc(F)c(F)c3)nc2)cs1
InChIInChI=1S/C17H10F2N2S/c1-11-21-14(10-22-11)5-2-12-3-7-17(20-9-12)13-4-6-15(18)16(19)8-13/h3-4,6-10H,1H3
InChIKeyGQBOLRQEFSOSAI-UHFFFAOYSA-N
XLogP4.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (CID 16662193) is 4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is Cc1nc(C#Cc2ccc(-c3ccc(F)c(F)c3)nc2)cs1.
What is the InChIKey of 4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is GQBOLRQEFSOSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N2S/c1-11-21-14(10-22-11)5-2-12-3-7-17(20-9-12)13-4-6-15(18)16(19)8-13/h3-4,6-10H,1H3.
What are the key properties of 4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 312.34 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(3,4-difluorophenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 16662193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).