N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide

C19H18N4O3S — CID 47037218

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1-n1cccn1
InChIInChI=1S/C19H18N4O3S/c24-19(17-5-1-2-6-18(17)22-12-3-11-20-22)21-15-7-9-16(10-8-15)23-13-4-14-27(23,25)26/h1-3,5-12H,4,13-14H2,(H,21,24)
InChIKeyIVBBJAJSFFEKQA-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.66
Rot. Bonds4

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide (PubChem CID 47037218) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide
PubChem CID47037218
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1-n1cccn1
InChIInChI=1S/C19H18N4O3S/c24-19(17-5-1-2-6-18(17)22-12-3-11-20-22)21-15-7-9-16(10-8-15)23-13-4-14-27(23,25)26/h1-3,5-12H,4,13-14H2,(H,21,24)
InChIKeyIVBBJAJSFFEKQA-UHFFFAOYSA-N
XLogP2.66
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrazol-1-ylphenyl)benzamide
CID 78866605
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53370669
2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide
CID 110303537
methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate
CID 86991803
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427415
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
N-(1H-indazol-5-yl)-2-pyrazol-1-ylbenzamide
CID 87000919
N-[4-(difluoromethoxy)phenyl]-2-pyrazol-1-ylbenzamide
CID 86991823
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-phenylpropanamide
CID 7627477
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-pyridin-2-ylbenzamide
CID 18107159

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide (CID 47037218) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide is O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1-n1cccn1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is IVBBJAJSFFEKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c24-19(17-5-1-2-6-18(17)22-12-3-11-20-22)21-15-7-9-16(10-8-15)23-13-4-14-27(23,25)26/h1-3,5-12H,4,13-14H2,(H,21,24).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 382.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 47037218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).