1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde

C11H15NOS — CID 131054121

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde
SMILESCc1ncc(CC2(C=O)CCCC2)s1
InChIInChI=1S/C11H15NOS/c1-9-12-7-10(14-9)6-11(8-13)4-2-3-5-11/h7-8H,2-6H2,1H3
InChIKeyYUHUFQDLWGFABJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.75
Rot. Bonds3

About 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde

1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde (PubChem CID 131054121) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde
PubChem CID131054121
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde
SMILESCc1ncc(CC2(C=O)CCCC2)s1
InChIInChI=1S/C11H15NOS/c1-9-12-7-10(14-9)6-11(8-13)4-2-3-5-11/h7-8H,2-6H2,1H3
InChIKeyYUHUFQDLWGFABJ-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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

5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole
CID 170152111
5-[[1-(chloromethyl)cyclopentyl]methyl]-2-methyl-1,3-thiazole
CID 66036030
1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclooctane-1-carboxylic acid
CID 80610832
1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbonitrile
CID 65376598
N-methyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
CID 63019110
2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole
CID 104688040
(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 63931851
5-[(3-ethylazetidin-3-yl)methyl]-2-methyl-1,3-thiazole
CID 79451564
1-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutane-1-carbaldehyde
CID 130712451
5-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-1,3-thiazole
CID 104688179
N,N-dimethyl-1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 115281055

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde (CID 131054121) is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde is Cc1ncc(CC2(C=O)CCCC2)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde?
The InChIKey is YUHUFQDLWGFABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-9-12-7-10(14-9)6-11(8-13)4-2-3-5-11/h7-8H,2-6H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde?
1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde has a molecular weight of 209.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 131054121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).