4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

C19H19N5O3S — CID 87031870

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1Cn1cncn1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C19H19N5O3S/c25-19(15-6-8-17(9-7-15)24-10-3-11-28(24,26)27)22-18-5-2-1-4-16(18)12-23-14-20-13-21-23/h1-2,4-9,13-14H,3,10-12H2,(H,22,25)
InChIKeyXDXDZCAOYSFNGC-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.12
Rot. Bonds5

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (PubChem CID 87031870) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
PubChem CID87031870
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1Cn1cncn1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C19H19N5O3S/c25-19(15-6-8-17(9-7-15)24-10-3-11-28(24,26)27)22-18-5-2-1-4-16(18)12-23-14-20-13-21-23/h1-2,4-9,13-14H,3,10-12H2,(H,22,25)
InChIKeyXDXDZCAOYSFNGC-UHFFFAOYSA-N
XLogP2.12
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 55814930
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 9488235
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[2-(difluoromethoxy)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246339
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyridin-2-ylbenzamide
CID 18107159
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9398987
5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide
CID 86822053
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 119440347
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 47064609
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-hydroxy-4-methylphenyl)benzamide
CID 18109023

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (CID 87031870) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccccc1Cn1cncn1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is XDXDZCAOYSFNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c25-19(15-6-8-17(9-7-15)24-10-3-11-28(24,26)27)22-18-5-2-1-4-16(18)12-23-14-20-13-21-23/h1-2,4-9,13-14H,3,10-12H2,(H,22,25).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 397.46 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 87031870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).