2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C15H20N4OS2 — CID 97186385

IUPAC2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESC[C@@H]1CN(CC(=O)NCc2cccs2)CCN1c1nccs1
InChIInChI=1S/C15H20N4OS2/c1-12-10-18(5-6-19(12)15-16-4-8-22-15)11-14(20)17-9-13-3-2-7-21-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,17,20)/t12-/m1/s1
InChIKeyVRUBLQXRODQPHB-GFCCVEGCSA-N
MW336.49 g/mol
LogP2.03
Rot. Bonds5

About 2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 97186385) has the molecular formula C15H20N4OS2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID97186385
Molecular FormulaC15H20N4OS2
Molecular Weight336.49 g/mol
Exact Mass336.11
IUPAC Name2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESC[C@@H]1CN(CC(=O)NCc2cccs2)CCN1c1nccs1
InChIInChI=1S/C15H20N4OS2/c1-12-10-18(5-6-19(12)15-16-4-8-22-15)11-14(20)17-9-13-3-2-7-21-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,17,20)/t12-/m1/s1
InChIKeyVRUBLQXRODQPHB-GFCCVEGCSA-N
XLogP2.03
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 75369832
2-(3-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 65448842
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
2-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperazin-1-yl]acetic acid
CID 43521795
2-[(3S)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535726
2-[(3R)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-3-propylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 96535725
2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 36899945
2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 35011271
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 62357149
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119927713
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 91828374
2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 71928394

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 97186385) is 2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is C[C@@H]1CN(CC(=O)NCc2cccs2)CCN1c1nccs1.
What is the InChIKey of 2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VRUBLQXRODQPHB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4OS2/c1-12-10-18(5-6-19(12)15-16-4-8-22-15)11-14(20)17-9-13-3-2-7-21-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,17,20)/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 336.49 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 97186385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).