N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide

C12H15N3O2S — CID 30177206

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESNC(=O)Cc1csc(NC(=O)C[C@H]2C=CCC2)n1
InChIInChI=1S/C12H15N3O2S/c13-10(16)6-9-7-18-12(14-9)15-11(17)5-8-3-1-2-4-8/h1,3,7-8H,2,4-6H2,(H2,13,16)(H,14,15,17)/t8-/m0/s1
InChIKeyIANURCVOKFIEMV-QMMMGPOBSA-N
MW265.34 g/mol
LogP1.47
Rot. Bonds5

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide (PubChem CID 30177206) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
PubChem CID30177206
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESNC(=O)Cc1csc(NC(=O)C[C@H]2C=CCC2)n1
InChIInChI=1S/C12H15N3O2S/c13-10(16)6-9-7-18-12(14-9)15-11(17)5-8-3-1-2-4-8/h1,3,7-8H,2,4-6H2,(H2,13,16)(H,14,15,17)/t8-/m0/s1
InChIKeyIANURCVOKFIEMV-QMMMGPOBSA-N
XLogP1.47
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 46699176
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-cyclopent-2-en-1-ylacetamide
CID 51200440
2-[(1S)-cyclopent-2-en-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26192949
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 25325724
2-[(1R)-cyclopent-2-en-1-yl]-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]acetohydrazide
CID 9076369
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51258130
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065750
ethyl N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamate
CID 16883950
2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 51382690
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 47113764
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-methylbutanamide
CID 24630482
3-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56762274

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide (CID 30177206) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide is NC(=O)Cc1csc(NC(=O)C[C@H]2C=CCC2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The InChIKey is IANURCVOKFIEMV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-10(16)6-9-7-18-12(14-9)15-11(17)5-8-3-1-2-4-8/h1,3,7-8H,2,4-6H2,(H2,13,16)(H,14,15,17)/t8-/m0/s1.
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide has a molecular weight of 265.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 30177206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).