2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine

C19H29N5O2S — CID 53301321

IUPAC2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine
SMILESCCCN(C)C1CN(Cc2cn(Cc3cc(C)cc(C)c3)nn2)S(=O)(=O)C1
InChIInChI=1S/C19H29N5O2S/c1-5-6-22(4)19-13-24(27(25,26)14-19)12-18-11-23(21-20-18)10-17-8-15(2)7-16(3)9-17/h7-9,11,19H,5-6,10,12-14H2,1-4H3
InChIKeyJLPNOVGLOZJYOS-UHFFFAOYSA-N
MW391.54 g/mol
LogP1.80
Rot. Bonds7

About 2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine

2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine (PubChem CID 53301321) has the molecular formula C19H29N5O2S and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine.

Molecular Properties

Compound Name2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine
PubChem CID53301321
Molecular FormulaC19H29N5O2S
Molecular Weight391.54 g/mol
Exact Mass391.20
IUPAC Name2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine
SMILESCCCN(C)C1CN(Cc2cn(Cc3cc(C)cc(C)c3)nn2)S(=O)(=O)C1
InChIInChI=1S/C19H29N5O2S/c1-5-6-22(4)19-13-24(27(25,26)14-19)12-18-11-23(21-20-18)10-17-8-15(2)7-16(3)9-17/h7-9,11,19H,5-6,10,12-14H2,1-4H3
InChIKeyJLPNOVGLOZJYOS-UHFFFAOYSA-N
XLogP1.80
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
The IUPAC name of 2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine (CID 53301321) is 2-[[1-[(3,5-dimethylphenyl)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-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
The canonical SMILES for 2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine is CCCN(C)C1CN(Cc2cn(Cc3cc(C)cc(C)c3)nn2)S(=O)(=O)C1.
What is the InChIKey of 2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
The InChIKey is JLPNOVGLOZJYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2S/c1-5-6-22(4)19-13-24(27(25,26)14-19)12-18-11-23(21-20-18)10-17-8-15(2)7-16(3)9-17/h7-9,11,19H,5-6,10,12-14H2,1-4H3.
What are the key properties of 2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine?
2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine has a molecular weight of 391.54 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]-N-methyl-1,1-dioxo-N-propyl-1,2-thiazolidin-4-amine is sourced from PubChem (CID 53301321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).