2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide

C12H20N4OS — CID 55120129

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
SMILESCN1CCCCC1CNC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H20N4OS/c1-16-5-3-2-4-10(16)7-14-11(17)6-9-8-18-12(13)15-9/h8,10H,2-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyXSINIJMRHZVQQA-UHFFFAOYSA-N
MW268.39 g/mol
LogP0.87
Rot. Bonds4

About 2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide (PubChem CID 55120129) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
PubChem CID55120129
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide
SMILESCN1CCCCC1CNC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H20N4OS/c1-16-5-3-2-4-10(16)7-14-11(17)6-9-8-18-12(13)15-9/h8,10H,2-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyXSINIJMRHZVQQA-UHFFFAOYSA-N
XLogP0.87
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 106026146
2-(2-amino-1,3-thiazol-4-yl)-N-[(4-ethylcyclohexyl)methyl]acetamide
CID 62799282
2-(2-amino-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)acetamide
CID 62797681
2-(2-amino-1,3-thiazol-4-yl)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
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2-(2-amino-1,3-thiazol-4-yl)-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 106255793
2-(2-amino-1,3-thiazol-4-yl)-N-(2-cyclopentyloxyethyl)acetamide
CID 63827928
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 113267463
N-[[(2S)-1-butylpiperidin-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 52505352
2-(2-amino-1,3-thiazol-4-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106325273
2-(2-amino-1,3-thiazol-4-yl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62800166
N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62799816
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide (CID 55120129) is 2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide is CN1CCCCC1CNC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide?
The InChIKey is XSINIJMRHZVQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-16-5-3-2-4-10(16)7-14-11(17)6-9-8-18-12(13)15-9/h8,10H,2-7H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide has a molecular weight of 268.39 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[(1-methylpiperidin-2-yl)methyl]acetamide is sourced from PubChem (CID 55120129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).