3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide

C16H20N4O3S — CID 51328573

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C16H20N4O3S/c21-16(18-6-2-8-19-10-7-17-13-19)14-4-1-5-15(12-14)20-9-3-11-24(20,22)23/h1,4-5,7,10,12-13H,2-3,6,8-9,11H2,(H,18,21)
InChIKeyCPADUEPWPJTFFD-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.24
Rot. Bonds6

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 51328573) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID51328573
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1ccnc1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C16H20N4O3S/c21-16(18-6-2-8-19-10-7-17-13-19)14-4-1-5-15(12-14)20-9-3-11-24(20,22)23/h1,4-5,7,10,12-13H,2-3,6,8-9,11H2,(H,18,21)
InChIKeyCPADUEPWPJTFFD-UHFFFAOYSA-N
XLogP1.24
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 77097246
N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119408150
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55624572
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
3-(chloromethyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 43333555
3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 7659003
2-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241903
N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119620981
3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17395173
N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide
CID 52992825

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide (CID 51328573) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide is O=C(NCCCn1ccnc1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is CPADUEPWPJTFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c21-16(18-6-2-8-19-10-7-17-13-19)14-4-1-5-15(12-14)20-9-3-11-24(20,22)23/h1,4-5,7,10,12-13H,2-3,6,8-9,11H2,(H,18,21).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 348.43 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 51328573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).