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

C13H21N5O2S — CID 175951982

IUPAC2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(N)=O)CC2C)s1
InChIInChI=1S/C13H21N5O2S/c1-9-6-17(8-12(14)20)3-4-18(9)7-11-5-15-13(21-11)16-10(2)19/h5,9H,3-4,6-8H2,1-2H3,(H2,14,20)(H,15,16,19)
InChIKeyQYFHSYDWBDGARG-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.09
Rot. Bonds5

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

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide (PubChem CID 175951982) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide
PubChem CID175951982
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCN(CC(N)=O)CC2C)s1
InChIInChI=1S/C13H21N5O2S/c1-9-6-17(8-12(14)20)3-4-18(9)7-11-5-15-13(21-11)16-10(2)19/h5,9H,3-4,6-8H2,1-2H3,(H2,14,20)(H,15,16,19)
InChIKeyQYFHSYDWBDGARG-UHFFFAOYSA-N
XLogP0.09
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide (CID 175951982) is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide is CC(=O)Nc1ncc(CN2CCN(CC(N)=O)CC2C)s1.
What is the InChIKey of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide?
The InChIKey is QYFHSYDWBDGARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-9-6-17(8-12(14)20)3-4-18(9)7-11-5-15-13(21-11)16-10(2)19/h5,9H,3-4,6-8H2,1-2H3,(H2,14,20)(H,15,16,19).
What are the key properties of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide?
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide has a molecular weight of 311.41 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 175951982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).