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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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).