N-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide

C16H20N4O2S — CID 9421404

IUPACN-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2csc(N3CCN(C)CC3)n2)ccc1O
InChIInChI=1S/C16H20N4O2S/c1-11(21)17-13-9-12(3-4-15(13)22)14-10-23-16(18-14)20-7-5-19(2)6-8-20/h3-4,9-10,22H,5-8H2,1-2H3,(H,17,21)
InChIKeyCNZHPRRFDZBKLL-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.23
Rot. Bonds3

About N-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide

N-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 9421404) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID9421404
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2csc(N3CCN(C)CC3)n2)ccc1O
InChIInChI=1S/C16H20N4O2S/c1-11(21)17-13-9-12(3-4-15(13)22)14-10-23-16(18-14)20-7-5-19(2)6-8-20/h3-4,9-10,22H,5-8H2,1-2H3,(H,17,21)
InChIKeyCNZHPRRFDZBKLL-UHFFFAOYSA-N
XLogP2.23
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide (CID 9421404) is N-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1cc(-c2csc(N3CCN(C)CC3)n2)ccc1O.
What is the InChIKey of N-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is CNZHPRRFDZBKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11(21)17-13-9-12(3-4-15(13)22)14-10-23-16(18-14)20-7-5-19(2)6-8-20/h3-4,9-10,22H,5-8H2,1-2H3,(H,17,21).
What are the key properties of N-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 9421404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).