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

C16H23N5O2S — CID 53301295

IUPACN,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine
SMILESCc1ccc(Cn2cc(CN3CC(N(C)C)CS3(=O)=O)nn2)cc1
InChIInChI=1S/C16H23N5O2S/c1-13-4-6-14(7-5-13)8-20-9-15(17-18-20)10-21-11-16(19(2)3)12-24(21,22)23/h4-7,9,16H,8,10-12H2,1-3H3
InChIKeyDKVRCXVBTGKWCA-UHFFFAOYSA-N
MW349.46 g/mol
LogP0.71
Rot. Bonds5

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

N,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine (PubChem CID 53301295) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine
PubChem CID53301295
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine
SMILESCc1ccc(Cn2cc(CN3CC(N(C)C)CS3(=O)=O)nn2)cc1
InChIInChI=1S/C16H23N5O2S/c1-13-4-6-14(7-5-13)8-20-9-15(17-18-20)10-21-11-16(19(2)3)12-24(21,22)23/h4-7,9,16H,8,10-12H2,1-3H3
InChIKeyDKVRCXVBTGKWCA-UHFFFAOYSA-N
XLogP0.71
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine (CID 53301295) is N,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine is Cc1ccc(Cn2cc(CN3CC(N(C)C)CS3(=O)=O)nn2)cc1.
What is the InChIKey of N,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine?
The InChIKey is DKVRCXVBTGKWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-13-4-6-14(7-5-13)8-20-9-15(17-18-20)10-21-11-16(19(2)3)12-24(21,22)23/h4-7,9,16H,8,10-12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine?
N,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine has a molecular weight of 349.46 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,1-dioxo-1,2-thiazolidin-4-amine is sourced from PubChem (CID 53301295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).