5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole

C18H14FN5S — CID 54670833

IUPAC5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1C(c1ccc(F)cc1)n1cc(-c2cccnc2)nn1
InChIInChI=1S/C18H14FN5S/c1-12-18(25-11-21-12)17(13-4-6-15(19)7-5-13)24-10-16(22-23-24)14-3-2-8-20-9-14/h2-11,17H,1H3
InChIKeyWJVGTELOFINAHQ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.88
Rot. Bonds4

About 5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole

5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 54670833) has the molecular formula C18H14FN5S and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole
PubChem CID54670833
Molecular FormulaC18H14FN5S
Molecular Weight351.41 g/mol
Exact Mass351.10
IUPAC Name5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1C(c1ccc(F)cc1)n1cc(-c2cccnc2)nn1
InChIInChI=1S/C18H14FN5S/c1-12-18(25-11-21-12)17(13-4-6-15(19)7-5-13)24-10-16(22-23-24)14-3-2-8-20-9-14/h2-11,17H,1H3
InChIKeyWJVGTELOFINAHQ-UHFFFAOYSA-N
XLogP3.88
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole (CID 54670833) is 5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole is Cc1ncsc1C(c1ccc(F)cc1)n1cc(-c2cccnc2)nn1.
What is the InChIKey of 5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is WJVGTELOFINAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5S/c1-12-18(25-11-21-12)17(13-4-6-15(19)7-5-13)24-10-16(22-23-24)14-3-2-8-20-9-14/h2-11,17H,1H3.
What are the key properties of 5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole?
5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 351.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)-(4-pyridin-3-yltriazol-1-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 54670833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).