3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one

C11H14N2OS — CID 104788498

IUPAC3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one
SMILESCc1csc(CCNC2=CC(=O)CC2)n1
InChIInChI=1S/C11H14N2OS/c1-8-7-15-11(13-8)4-5-12-9-2-3-10(14)6-9/h6-7,12H,2-5H2,1H3
InChIKeyOUKXJMVRQDHJNI-UHFFFAOYSA-N
MW222.31 g/mol
LogP1.83
Rot. Bonds4

About 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one

3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one (PubChem CID 104788498) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one
PubChem CID104788498
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one
SMILESCc1csc(CCNC2=CC(=O)CC2)n1
InChIInChI=1S/C11H14N2OS/c1-8-7-15-11(13-8)4-5-12-9-2-3-10(14)6-9/h6-7,12H,2-5H2,1H3
InChIKeyOUKXJMVRQDHJNI-UHFFFAOYSA-N
XLogP1.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,3-thiazol-2-yl)ethylhydrazine
CID 105220758
4,6-dimethoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 63242633
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-5-amine
CID 82538991
2,4,6-trimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82121506
2-ethyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 137016410
5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazol-2-amine
CID 106571825
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 63000811
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
5-methoxy-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136975614
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65274494
1,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571807
2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82118529

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one?
The IUPAC name of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one (CID 104788498) is 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one is Cc1csc(CCNC2=CC(=O)CC2)n1.
What is the InChIKey of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one?
The InChIKey is OUKXJMVRQDHJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-8-7-15-11(13-8)4-5-12-9-2-3-10(14)6-9/h6-7,12H,2-5H2,1H3.
What are the key properties of 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one?
3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one has a molecular weight of 222.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).