methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C13H16N2O3S — CID 47113764

IUPACmethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)CC2C=CCC2)nc1C
InChIInChI=1S/C13H16N2O3S/c1-8-11(12(17)18-2)19-13(14-8)15-10(16)7-9-5-3-4-6-9/h3,5,9H,4,6-7H2,1-2H3,(H,14,15,16)
InChIKeySFCNRZAQFVEVDB-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.53
Rot. Bonds4

About methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 47113764) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID47113764
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Namemethyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(NC(=O)CC2C=CCC2)nc1C
InChIInChI=1S/C13H16N2O3S/c1-8-11(12(17)18-2)19-13(14-8)15-10(16)7-9-5-3-4-6-9/h3,5,9H,4,6-7H2,1-2H3,(H,14,15,16)
InChIKeySFCNRZAQFVEVDB-UHFFFAOYSA-N
XLogP2.53
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26192949
2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
CID 24621135
methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108808756
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
methyl 2-[(3-amino-3-sulfanylidenepropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 82154875
methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 55756724
6-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 17376307
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3582528
2-cyclopent-2-en-1-yl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 56793632
methyl 4-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3146505
N-benzo[e][1,3]benzothiazol-2-yl-2-cyclopent-2-en-1-ylacetamide
CID 46820966
methyl 4-methyl-2-(octanoylamino)-1,3-thiazole-5-carboxylate
CID 3466631

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 47113764) is methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is COC(=O)c1sc(NC(=O)CC2C=CCC2)nc1C.
What is the InChIKey of methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is SFCNRZAQFVEVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-8-11(12(17)18-2)19-13(14-8)15-10(16)7-9-5-3-4-6-9/h3,5,9H,4,6-7H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 280.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47113764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).