2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde

C9H11NOS — CID 115015990

IUPAC2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde
SMILESCC1(c2nc(C=O)cs2)CCC1
InChIInChI=1S/C9H11NOS/c1-9(3-2-4-9)8-10-7(5-11)6-12-8/h5-6H,2-4H2,1H3
InChIKeyNZIWPIGADWVVPS-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.40
Rot. Bonds2

About 2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde

2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 115015990) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde
PubChem CID115015990
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde
SMILESCC1(c2nc(C=O)cs2)CCC1
InChIInChI=1S/C9H11NOS/c1-9(3-2-4-9)8-10-7(5-11)6-12-8/h5-6H,2-4H2,1H3
InChIKeyNZIWPIGADWVVPS-UHFFFAOYSA-N
XLogP2.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.40
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

2-(3-methyl-1,1-dioxothian-3-yl)-1,3-thiazole-4-carbaldehyde
CID 115048524
2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazole-4-carbaldehyde
CID 116744654
2-methyl-1,3-thiazole-4-carbaldehyde;oxolane
CID 158730051
2-(1-methylcyclopentyl)-1,3-oxazole-4-carbaldehyde
CID 115015383
2-(2-methylcyclopropyl)-1,3-thiazole-4-carbaldehyde
CID 65420806
2-diethylphosphoryl-1-[2-(1-methylcyclohexyl)-1,3-thiazol-4-yl]ethanone
CID 140993900
2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde
CID 79617713
2-ethoxy-1,3-thiazole-4-carbaldehyde
CID 83872893
2-butyl-1,3-thiazole-4-carbaldehyde
CID 58168525
2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde;ethane
CID 142947803
2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carbaldehyde
CID 65424819
2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-thiazole-4-carbaldehyde
CID 115088355

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde (CID 115015990) is 2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde is CC1(c2nc(C=O)cs2)CCC1.
What is the InChIKey of 2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is NZIWPIGADWVVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c1-9(3-2-4-9)8-10-7(5-11)6-12-8/h5-6H,2-4H2,1H3.
What are the key properties of 2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde?
2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 181.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 115015990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).