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

C15H18N4O3S — CID 87046483

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(CN1CCCS1(=O)=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H18N4O3S/c20-15(12-19-9-2-10-23(19,21)22)17-14-5-3-13(4-6-14)11-18-8-1-7-16-18/h1,3-8H,2,9-12H2,(H,17,20)
InChIKeyBFHZGQXLFKJHSF-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.91
Rot. Bonds5

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

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 87046483) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID87046483
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(CN1CCCS1(=O)=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H18N4O3S/c20-15(12-19-9-2-10-23(19,21)22)17-14-5-3-13(4-6-14)11-18-8-1-7-16-18/h1,3-8H,2,9-12H2,(H,17,20)
InChIKeyBFHZGQXLFKJHSF-UHFFFAOYSA-N
XLogP0.91
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 87019085
2-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)acetamide
CID 110687739
4-oxo-4-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 60933846
5-chloro-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 60933639
5-hydroxy-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 79199425
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
N-[4-(dimethylamino)phenyl]-2-(1,1-dioxothiazinan-2-yl)acetamide
CID 110687775
3-(cyclopropylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 60927530
1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715476
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110689996
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 87046483) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide is O=C(CN1CCCS1(=O)=O)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is BFHZGQXLFKJHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c20-15(12-19-9-2-10-23(19,21)22)17-14-5-3-13(4-6-14)11-18-8-1-7-16-18/h1,3-8H,2,9-12H2,(H,17,20).
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 87046483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).