5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole

C18H20FN5S — CID 53192112

IUPAC5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCCC(c2nc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C18H20FN5S/c1-12-16(25-11-20-12)10-24-8-2-3-14(9-24)18-21-17(22-23-18)13-4-6-15(19)7-5-13/h4-7,11,14H,2-3,8-10H2,1H3,(H,21,22,23)
InChIKeyHSISGYRWISVJQL-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.76
Rot. Bonds4

About 5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole

5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 53192112) has the molecular formula C18H20FN5S and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID53192112
Molecular FormulaC18H20FN5S
Molecular Weight357.46 g/mol
Exact Mass357.14
IUPAC Name5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCCC(c2nc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C18H20FN5S/c1-12-16(25-11-20-12)10-24-8-2-3-14(9-24)18-21-17(22-23-18)13-4-6-15(19)7-5-13/h4-7,11,14H,2-3,8-10H2,1H3,(H,21,22,23)
InChIKeyHSISGYRWISVJQL-UHFFFAOYSA-N
XLogP3.76
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (CID 53192112) is 5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CCCC(c2nc(-c3ccc(F)cc3)n[nH]2)C1.
What is the InChIKey of 5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is HSISGYRWISVJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5S/c1-12-16(25-11-20-12)10-24-8-2-3-14(9-24)18-21-17(22-23-18)13-4-6-15(19)7-5-13/h4-7,11,14H,2-3,8-10H2,1H3,(H,21,22,23).
What are the key properties of 5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 357.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 53192112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).