(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide

C12H17N3O2S — CID 25363384

IUPAC(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N[C@H](C(=O)Nc1nccs1)C1CCCC1
InChIInChI=1S/C12H17N3O2S/c1-8(16)14-10(9-4-2-3-5-9)11(17)15-12-13-6-7-18-12/h6-7,9-10H,2-5H2,1H3,(H,14,16)(H,13,15,17)/t10-/m0/s1
InChIKeyAAXXHUQNNNEOON-JTQLQIEISA-N
MW267.35 g/mol
LogP1.78
Rot. Bonds4

About (2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide

(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 25363384) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is (2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID25363384
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(=O)N[C@H](C(=O)Nc1nccs1)C1CCCC1
InChIInChI=1S/C12H17N3O2S/c1-8(16)14-10(9-4-2-3-5-9)11(17)15-12-13-6-7-18-12/h6-7,9-10H,2-5H2,1H3,(H,14,16)(H,13,15,17)/t10-/m0/s1
InChIKeyAAXXHUQNNNEOON-JTQLQIEISA-N
XLogP1.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
(2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide
CID 94491136
(2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 95626559
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
1-[(1R)-1-cyclohexylethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 3002367
2-acetamido-2-cyclopentyl-N-(1-pyridin-4-ylethyl)acetamide
CID 86912436
2-acetamido-2-cyclopentyl-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 75413441
3-cyclopentyl-2-pyridin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 10171778
(2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 97219658
2-acetamido-2-cyclopentyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 75375494
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of (2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide (CID 25363384) is (2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for (2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for (2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide is CC(=O)N[C@H](C(=O)Nc1nccs1)C1CCCC1.
What is the InChIKey of (2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is AAXXHUQNNNEOON-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8(16)14-10(9-4-2-3-5-9)11(17)15-12-13-6-7-18-12/h6-7,9-10H,2-5H2,1H3,(H,14,16)(H,13,15,17)/t10-/m0/s1.
What are the key properties of (2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide?
(2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 267.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 25363384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).