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

C17H25N5O2S — CID 53301316

IUPAC2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine
SMILESCCCN(C)C1CN(Cc2cn(Cc3ccccc3)nn2)S(=O)(=O)C1
InChIInChI=1S/C17H25N5O2S/c1-3-9-20(2)17-13-22(25(23,24)14-17)12-16-11-21(19-18-16)10-15-7-5-4-6-8-15/h4-8,11,17H,3,9-10,12-14H2,1-2H3
InChIKeyIIPDKAWIIUJRPO-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.18
Rot. Bonds7

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

2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine (PubChem CID 53301316) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine.

Molecular Properties

Compound Name2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine
PubChem CID53301316
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine
SMILESCCCN(C)C1CN(Cc2cn(Cc3ccccc3)nn2)S(=O)(=O)C1
InChIInChI=1S/C17H25N5O2S/c1-3-9-20(2)17-13-22(25(23,24)14-17)12-16-11-21(19-18-16)10-15-7-5-4-6-8-15/h4-8,11,17H,3,9-10,12-14H2,1-2H3
InChIKeyIIPDKAWIIUJRPO-UHFFFAOYSA-N
XLogP1.18
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
The IUPAC name of 2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine (CID 53301316) is 2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine.
What is the SMILES notation for 2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
The canonical SMILES for 2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine is CCCN(C)C1CN(Cc2cn(Cc3ccccc3)nn2)S(=O)(=O)C1.
What is the InChIKey of 2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
The InChIKey is IIPDKAWIIUJRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-3-9-20(2)17-13-22(25(23,24)14-17)12-16-11-21(19-18-16)10-15-7-5-4-6-8-15/h4-8,11,17H,3,9-10,12-14H2,1-2H3.
What are the key properties of 2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine has a molecular weight of 363.49 g/mol, XLogP of 1.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyltriazol-4-yl)methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine is sourced from PubChem (CID 53301316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).