2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine

C17H24FN5O2S — CID 53301318

IUPAC2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine
SMILESCCCN(C)C1CN(Cc2cn(Cc3ccc(F)cc3)nn2)S(=O)(=O)C1
InChIInChI=1S/C17H24FN5O2S/c1-3-8-21(2)17-12-23(26(24,25)13-17)11-16-10-22(20-19-16)9-14-4-6-15(18)7-5-14/h4-7,10,17H,3,8-9,11-13H2,1-2H3
InChIKeyKBKIFSGOVFZFAZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.32
Rot. Bonds7

About 2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine

2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine (PubChem CID 53301318) has the molecular formula C17H24FN5O2S and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine.

Molecular Properties

Compound Name2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine
PubChem CID53301318
Molecular FormulaC17H24FN5O2S
Molecular Weight381.48 g/mol
Exact Mass381.16
IUPAC Name2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine
SMILESCCCN(C)C1CN(Cc2cn(Cc3ccc(F)cc3)nn2)S(=O)(=O)C1
InChIInChI=1S/C17H24FN5O2S/c1-3-8-21(2)17-12-23(26(24,25)13-17)11-16-10-22(20-19-16)9-14-4-6-15(18)7-5-14/h4-7,10,17H,3,8-9,11-13H2,1-2H3
InChIKeyKBKIFSGOVFZFAZ-UHFFFAOYSA-N
XLogP1.32
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
The IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine (CID 53301318) is 2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine.
What is the SMILES notation for 2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
The canonical SMILES for 2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine is CCCN(C)C1CN(Cc2cn(Cc3ccc(F)cc3)nn2)S(=O)(=O)C1.
What is the InChIKey of 2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
The InChIKey is KBKIFSGOVFZFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O2S/c1-3-8-21(2)17-12-23(26(24,25)13-17)11-16-10-22(20-19-16)9-14-4-6-15(18)7-5-14/h4-7,10,17H,3,8-9,11-13H2,1-2H3.
What are the key properties of 2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine has a molecular weight of 381.48 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine is sourced from PubChem (CID 53301318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).