4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole

C9H11NS — CID 167193666

IUPAC4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole
SMILESC=C1CC(c2nc(C)cs2)C1
InChIInChI=1S/C9H11NS/c1-6-3-8(4-6)9-10-7(2)5-11-9/h5,8H,1,3-4H2,2H3
InChIKeyUDRDNJTVSHUADH-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.89
Rot. Bonds1

About 4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole

4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole (PubChem CID 167193666) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole
PubChem CID167193666
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole
SMILESC=C1CC(c2nc(C)cs2)C1
InChIInChI=1S/C9H11NS/c1-6-3-8(4-6)9-10-7(2)5-11-9/h5,8H,1,3-4H2,2H3
InChIKeyUDRDNJTVSHUADH-UHFFFAOYSA-N
XLogP2.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole (CID 167193666) is 4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole is C=C1CC(c2nc(C)cs2)C1.
What is the InChIKey of 4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole?
The InChIKey is UDRDNJTVSHUADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-6-3-8(4-6)9-10-7(2)5-11-9/h5,8H,1,3-4H2,2H3.
What are the key properties of 4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole?
4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole has a molecular weight of 165.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylidenecyclobutyl)-1,3-thiazole is sourced from PubChem (CID 167193666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).