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

C18H27N5O2S — CID 53301319

IUPACN-methyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine
SMILESCCCN(C)C1CN(Cc2cn(Cc3ccc(C)cc3)nn2)S(=O)(=O)C1
InChIInChI=1S/C18H27N5O2S/c1-4-9-21(3)18-13-23(26(24,25)14-18)12-17-11-22(20-19-17)10-16-7-5-15(2)6-8-16/h5-8,11,18H,4,9-10,12-14H2,1-3H3
InChIKeyJGFXSHRDIMZQAZ-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.49
Rot. Bonds7

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

N-methyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine (PubChem CID 53301319) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-methyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine
PubChem CID53301319
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC NameN-methyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine
SMILESCCCN(C)C1CN(Cc2cn(Cc3ccc(C)cc3)nn2)S(=O)(=O)C1
InChIInChI=1S/C18H27N5O2S/c1-4-9-21(3)18-13-23(26(24,25)14-18)12-17-11-22(20-19-17)10-16-7-5-15(2)6-8-16/h5-8,11,18H,4,9-10,12-14H2,1-3H3
InChIKeyJGFXSHRDIMZQAZ-UHFFFAOYSA-N
XLogP1.49
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
The IUPAC name of N-methyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine (CID 53301319) is N-methyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine.
What is the SMILES notation for N-methyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
The canonical SMILES for N-methyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine is CCCN(C)C1CN(Cc2cn(Cc3ccc(C)cc3)nn2)S(=O)(=O)C1.
What is the InChIKey of N-methyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
The InChIKey is JGFXSHRDIMZQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-4-9-21(3)18-13-23(26(24,25)14-18)12-17-11-22(20-19-17)10-16-7-5-15(2)6-8-16/h5-8,11,18H,4,9-10,12-14H2,1-3H3.
What are the key properties of N-methyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
N-methyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine has a molecular weight of 377.51 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine is sourced from PubChem (CID 53301319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).