N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide

C17H20N4O3S — CID 141278807

IUPACN-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)N1CCNCC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H20N4O3S/c22-10-13(17(24)21-8-6-18-7-9-21)19-15(23)14-11-25-16(20-14)12-4-2-1-3-5-12/h1-5,11,13,18,22H,6-10H2,(H,19,23)/t13-/m0/s1
InChIKeyZIAWAIFCEKFVIK-ZDUSSCGKSA-N
MW360.44 g/mol
LogP0.33
Rot. Bonds5

About N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 141278807) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID141278807
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)N1CCNCC1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C17H20N4O3S/c22-10-13(17(24)21-8-6-18-7-9-21)19-15(23)14-11-25-16(20-14)12-4-2-1-3-5-12/h1-5,11,13,18,22H,6-10H2,(H,19,23)/t13-/m0/s1
InChIKeyZIAWAIFCEKFVIK-ZDUSSCGKSA-N
XLogP0.33
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 141278807) is N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide is O=C(N[C@@H](CO)C(=O)N1CCNCC1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZIAWAIFCEKFVIK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O3S/c22-10-13(17(24)21-8-6-18-7-9-21)19-15(23)14-11-25-16(20-14)12-4-2-1-3-5-12/h1-5,11,13,18,22H,6-10H2,(H,19,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 141278807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).