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

C13H20N4O2S — CID 146665331

IUPACN-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(C(C)=O)CC2C)s1
InChIInChI=1S/C13H20N4O2S/c1-9-7-17(11(3)19)5-4-16(9)8-12-6-14-13(20-12)15-10(2)18/h6,9H,4-5,7-8H2,1-3H3,(H,14,15,18)
InChIKeyXNTYINRLBFQEMP-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.15
Rot. Bonds3

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

N-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 146665331) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID146665331
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(C(C)=O)CC2C)s1
InChIInChI=1S/C13H20N4O2S/c1-9-7-17(11(3)19)5-4-16(9)8-12-6-14-13(20-12)15-10(2)18/h6,9H,4-5,7-8H2,1-3H3,(H,14,15,18)
InChIKeyXNTYINRLBFQEMP-UHFFFAOYSA-N
XLogP1.15
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 146665331) is N-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCN(C(C)=O)CC2C)s1.
What is the InChIKey of N-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XNTYINRLBFQEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-9-7-17(11(3)19)5-4-16(9)8-12-6-14-13(20-12)15-10(2)18/h6,9H,4-5,7-8H2,1-3H3,(H,14,15,18).
What are the key properties of N-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 296.40 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 146665331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).