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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 63221653
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
3-(1,3-thiazol-2-ylmethylamino)pyrrolidine-2,5-dione
CID 61284446
4-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231543
N-[4-(1,3-thiazol-2-ylmethylamino)phenyl]acetamide
CID 63655785
N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285050
6-methoxy-N-(1,3-thiazol-2-ylmethyl)pyridin-3-amine
CID 63655578
5-chloro-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 79556675
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110746410
N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 63654803
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
4,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 61283291

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).