N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide

C16H22N4O2S — CID 110741454

IUPACN-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CSCN2)CC1)Nc1ccccc1
InChIInChI=1S/C16H22N4O2S/c21-15(18-13-4-2-1-3-5-13)10-19-6-8-20(9-7-19)16(22)14-11-23-12-17-14/h1-5,14,17H,6-12H2,(H,18,21)
InChIKeyQYWRCOFELHILRO-UHFFFAOYSA-N
MW334.44 g/mol
LogP0.43
Rot. Bonds4

About N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide

N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 110741454) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID110741454
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC NameN-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)C2CSCN2)CC1)Nc1ccccc1
InChIInChI=1S/C16H22N4O2S/c21-15(18-13-4-2-1-3-5-13)10-19-6-8-20(9-7-19)16(22)14-11-23-12-17-14/h1-5,14,17H,6-12H2,(H,18,21)
InChIKeyQYWRCOFELHILRO-UHFFFAOYSA-N
XLogP0.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110757208
2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110802605
N-(4-chlorophenyl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide
CID 110812149
4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
CID 119312341
2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31149812
N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119840821
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 60937367
N-(2-anilino-2-oxoethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54871505
2-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-N-phenylacetamide;dihydrochloride
CID 119840839
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide (CID 110741454) is N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)C2CSCN2)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is QYWRCOFELHILRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c21-15(18-13-4-2-1-3-5-13)10-19-6-8-20(9-7-19)16(22)14-11-23-12-17-14/h1-5,14,17H,6-12H2,(H,18,21).
What are the key properties of N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide?
N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 334.44 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 110741454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).