2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide

C17H24N4O2S — CID 122144017

IUPAC2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCC(CN1CCN(c2ccccc2)CC1)NC(=O)C1CSC(=O)N1
InChIInChI=1S/C17H24N4O2S/c1-13(18-16(22)15-12-24-17(23)19-15)11-20-7-9-21(10-8-20)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyLOESERAYIVARMV-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.14
Rot. Bonds5

About 2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide

2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 122144017) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID122144017
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide
SMILESCC(CN1CCN(c2ccccc2)CC1)NC(=O)C1CSC(=O)N1
InChIInChI=1S/C17H24N4O2S/c1-13(18-16(22)15-12-24-17(23)19-15)11-20-7-9-21(10-8-20)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,22)(H,19,23)
InChIKeyLOESERAYIVARMV-UHFFFAOYSA-N
XLogP1.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 97019834
(4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 124614611
(1R,2R,4R)-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129377993
(4S)-N-[(2S)-1-(2-bromophenyl)propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 97087809
(2S)-2-methylsulfonyl-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide
CID 95776431
2-methyl-3-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide;trihydrochloride
CID 119903471
1-(4-hydroxy-3-methylbutan-2-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 111506661
N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide
CID 95776434
1-amino-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]cyclopentane-1-carboxamide
CID 119903462
4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide
CID 119903454
(4S)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 129423802
2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 100647066

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide (CID 122144017) is 2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide is CC(CN1CCN(c2ccccc2)CC1)NC(=O)C1CSC(=O)N1.
What is the InChIKey of 2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is LOESERAYIVARMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13(18-16(22)15-12-24-17(23)19-15)11-20-7-9-21(10-8-20)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide?
2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 122144017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).