3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one

C9H10N2OS — CID 104788357

IUPAC3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCc2nccs2)CC1
InChIInChI=1S/C9H10N2OS/c12-8-2-1-7(5-8)11-6-9-10-3-4-13-9/h3-5,11H,1-2,6H2
InChIKeyJYVNFZKMWUYKFC-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.48
Rot. Bonds3

About 3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one

3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one (PubChem CID 104788357) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one
PubChem CID104788357
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one
SMILESO=C1C=C(NCc2nccs2)CC1
InChIInChI=1S/C9H10N2OS/c12-8-2-1-7(5-8)11-6-9-10-3-4-13-9/h3-5,11H,1-2,6H2
InChIKeyJYVNFZKMWUYKFC-UHFFFAOYSA-N
XLogP1.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one (CID 104788357) is 3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one is O=C1C=C(NCc2nccs2)CC1.
What is the InChIKey of 3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one?
The InChIKey is JYVNFZKMWUYKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c12-8-2-1-7(5-8)11-6-9-10-3-4-13-9/h3-5,11H,1-2,6H2.
What are the key properties of 3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one?
3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one has a molecular weight of 194.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-ylmethylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 104788357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).