2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide

C17H28N4O2S — CID 9423240

IUPAC2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide
SMILESCC(=O)c1sc(CN2CCN(CC(=O)NC(C)(C)C)CC2)nc1C
InChIInChI=1S/C17H28N4O2S/c1-12-16(13(2)22)24-15(18-12)11-21-8-6-20(7-9-21)10-14(23)19-17(3,4)5/h6-11H2,1-5H3,(H,19,23)
InChIKeyWCQAWESAJRDJBK-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.69
Rot. Bonds5

About 2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide

2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide (PubChem CID 9423240) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide
PubChem CID9423240
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide
SMILESCC(=O)c1sc(CN2CCN(CC(=O)NC(C)(C)C)CC2)nc1C
InChIInChI=1S/C17H28N4O2S/c1-12-16(13(2)22)24-15(18-12)11-21-8-6-20(7-9-21)10-14(23)19-17(3,4)5/h6-11H2,1-5H3,(H,19,23)
InChIKeyWCQAWESAJRDJBK-UHFFFAOYSA-N
XLogP1.69
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide (CID 9423240) is 2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide is CC(=O)c1sc(CN2CCN(CC(=O)NC(C)(C)C)CC2)nc1C.
What is the InChIKey of 2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide?
The InChIKey is WCQAWESAJRDJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-12-16(13(2)22)24-15(18-12)11-21-8-6-20(7-9-21)10-14(23)19-17(3,4)5/h6-11H2,1-5H3,(H,19,23).
What are the key properties of 2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide?
2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide has a molecular weight of 352.50 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-tert-butylacetamide is sourced from PubChem (CID 9423240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).