3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde

C11H15NOS — CID 130646206

IUPAC3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde
SMILESCC1CCC(C=O)(Cc2nccs2)C1
InChIInChI=1S/C11H15NOS/c1-9-2-3-11(6-9,8-13)7-10-12-4-5-14-10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyQCTRKFXBCYZVPG-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.69
Rot. Bonds3

About 3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde

3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde (PubChem CID 130646206) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde
PubChem CID130646206
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde
SMILESCC1CCC(C=O)(Cc2nccs2)C1
InChIInChI=1S/C11H15NOS/c1-9-2-3-11(6-9,8-13)7-10-12-4-5-14-10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyQCTRKFXBCYZVPG-UHFFFAOYSA-N
XLogP2.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79823883
1-(1-hydroxy-4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 103450798
1-(2-hydroxyethyl)-3-methylcyclopentane-1-carbaldehyde
CID 131143277
1-but-2-ynyl-3-methylcyclopentane-1-carbaldehyde
CID 130672813
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
N-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 115442731
1,5-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
CID 81467728
1-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)methanamine;dihydrochloride
CID 155973425
[2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-yl]methanol
CID 114535607
2-methyl-3-(1,3-thiazol-2-ylmethyl)thian-3-ol
CID 79951477
[4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol
CID 62525855
[1-(1-ethoxy-3-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105277794

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde?
The IUPAC name of 3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde (CID 130646206) is 3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for 3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde?
The canonical SMILES for 3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde is CC1CCC(C=O)(Cc2nccs2)C1.
What is the InChIKey of 3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde?
The InChIKey is QCTRKFXBCYZVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-9-2-3-11(6-9,8-13)7-10-12-4-5-14-10/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde?
3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde has a molecular weight of 209.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,3-thiazol-2-ylmethyl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 130646206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).