4-cyclobutyl-4,5-dihydro-1,2-thiazole

C7H11NS — CID 141005106

IUPAC4-cyclobutyl-4,5-dihydro-1,2-thiazole
SMILESC1=NSCC1C1CCC1
InChIInChI=1S/C7H11NS/c1-2-6(3-1)7-4-8-9-5-7/h4,6-7H,1-3,5H2
InChIKeyCWPLYLDRVBUCRO-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.14
Rot. Bonds1

About 4-cyclobutyl-4,5-dihydro-1,2-thiazole

4-cyclobutyl-4,5-dihydro-1,2-thiazole (PubChem CID 141005106) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 4-cyclobutyl-4,5-dihydro-1,2-thiazole.

Molecular Properties

Compound Name4-cyclobutyl-4,5-dihydro-1,2-thiazole
PubChem CID141005106
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name4-cyclobutyl-4,5-dihydro-1,2-thiazole
SMILESC1=NSCC1C1CCC1
InChIInChI=1S/C7H11NS/c1-2-6(3-1)7-4-8-9-5-7/h4,6-7H,1-3,5H2
InChIKeyCWPLYLDRVBUCRO-UHFFFAOYSA-N
XLogP2.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-4,5-dihydro-1,2-thiazole?
The IUPAC name of 4-cyclobutyl-4,5-dihydro-1,2-thiazole (CID 141005106) is 4-cyclobutyl-4,5-dihydro-1,2-thiazole.
What is the SMILES notation for 4-cyclobutyl-4,5-dihydro-1,2-thiazole?
The canonical SMILES for 4-cyclobutyl-4,5-dihydro-1,2-thiazole is C1=NSCC1C1CCC1.
What is the InChIKey of 4-cyclobutyl-4,5-dihydro-1,2-thiazole?
The InChIKey is CWPLYLDRVBUCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-6(3-1)7-4-8-9-5-7/h4,6-7H,1-3,5H2.
What are the key properties of 4-cyclobutyl-4,5-dihydro-1,2-thiazole?
4-cyclobutyl-4,5-dihydro-1,2-thiazole has a molecular weight of 141.24 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-4,5-dihydro-1,2-thiazole is sourced from PubChem (CID 141005106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).