2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C10H16N4OS — CID 104976722

IUPAC2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESC[C@H]1CN(CC(=O)Nc2nccs2)CCN1
InChIInChI=1S/C10H16N4OS/c1-8-6-14(4-2-11-8)7-9(15)13-10-12-3-5-16-10/h3,5,8,11H,2,4,6-7H2,1H3,(H,12,13,15)/t8-/m0/s1
InChIKeyITFDRDVEYNFONX-QMMMGPOBSA-N
MW240.33 g/mol
LogP0.38
Rot. Bonds3

About 2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 104976722) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID104976722
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESC[C@H]1CN(CC(=O)Nc2nccs2)CCN1
InChIInChI=1S/C10H16N4OS/c1-8-6-14(4-2-11-8)7-9(15)13-10-12-3-5-16-10/h3,5,8,11H,2,4,6-7H2,1H3,(H,12,13,15)/t8-/m0/s1
InChIKeyITFDRDVEYNFONX-QMMMGPOBSA-N
XLogP0.38
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide
CID 65450346
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 81491285
methyl 3-[[2-[(3R)-3-methylpiperazin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 104975578
N-(5-bromo-2-pyridinyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975239
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187
N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)-4-pyridinyl]-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 57462820
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171704376
2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 146131791
3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 63137210
2-[(3S)-3-methylpiperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 104977240

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 104976722) is 2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is C[C@H]1CN(CC(=O)Nc2nccs2)CCN1.
What is the InChIKey of 2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ITFDRDVEYNFONX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-8-6-14(4-2-11-8)7-9(15)13-10-12-3-5-16-10/h3,5,8,11H,2,4,6-7H2,1H3,(H,12,13,15)/t8-/m0/s1.
What are the key properties of 2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 240.33 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 104976722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).