2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide

C15H18N4OS — CID 24621135

IUPAC2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)CC2C=CCC2)sc1-c1nccn1C
InChIInChI=1S/C15H18N4OS/c1-10-13(14-16-7-8-19(14)2)21-15(17-10)18-12(20)9-11-5-3-4-6-11/h3,5,7-8,11H,4,6,9H2,1-2H3,(H,17,18,20)
InChIKeyHEERBHGLVNDFOP-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.15
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide

2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 24621135) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID24621135
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)CC2C=CCC2)sc1-c1nccn1C
InChIInChI=1S/C15H18N4OS/c1-10-13(14-16-7-8-19(14)2)21-15(17-10)18-12(20)9-11-5-3-4-6-11/h3,5,7-8,11H,4,6,9H2,1-2H3,(H,17,18,20)
InChIKeyHEERBHGLVNDFOP-UHFFFAOYSA-N
XLogP3.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide (CID 24621135) is 2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide is Cc1nc(NC(=O)CC2C=CCC2)sc1-c1nccn1C.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is HEERBHGLVNDFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-13(14-16-7-8-19(14)2)21-15(17-10)18-12(20)9-11-5-3-4-6-11/h3,5,7-8,11H,4,6,9H2,1-2H3,(H,17,18,20).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?
2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 302.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24621135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).