4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine

C14H17FN4S — CID 53014972

IUPAC4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine
SMILESCc1c(CN2CCSCC2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C14H17FN4S/c1-11-14(10-18-6-8-20-9-7-18)16-17-19(11)13-4-2-12(15)3-5-13/h2-5H,6-10H2,1H3
InChIKeySMIOMIOGBQZYRZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.26
Rot. Bonds3

About 4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine

4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine (PubChem CID 53014972) has the molecular formula C14H17FN4S and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine.

Molecular Properties

Compound Name4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine
PubChem CID53014972
Molecular FormulaC14H17FN4S
Molecular Weight292.38 g/mol
Exact Mass292.12
IUPAC Name4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine
SMILESCc1c(CN2CCSCC2)nnn1-c1ccc(F)cc1
InChIInChI=1S/C14H17FN4S/c1-11-14(10-18-6-8-20-9-7-18)16-17-19(11)13-4-2-12(15)3-5-13/h2-5H,6-10H2,1H3
InChIKeySMIOMIOGBQZYRZ-UHFFFAOYSA-N
XLogP2.26
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine?
The IUPAC name of 4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine (CID 53014972) is 4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine.
What is the SMILES notation for 4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine?
The canonical SMILES for 4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine is Cc1c(CN2CCSCC2)nnn1-c1ccc(F)cc1.
What is the InChIKey of 4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine?
The InChIKey is SMIOMIOGBQZYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4S/c1-11-14(10-18-6-8-20-9-7-18)16-17-19(11)13-4-2-12(15)3-5-13/h2-5H,6-10H2,1H3.
What are the key properties of 4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine?
4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine has a molecular weight of 292.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluorophenyl)-5-methyltriazol-4-yl]methyl]thiomorpholine is sourced from PubChem (CID 53014972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).