2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole

C8H13NS — CID 123254253

IUPAC2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole
SMILESC1CC(CC2=NCCS2)C1
InChIInChI=1S/C8H13NS/c1-2-7(3-1)6-8-9-4-5-10-8/h7H,1-6H2
InChIKeyUFLVXIHFARBTAC-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.32
Rot. Bonds2

About 2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole

2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole (PubChem CID 123254253) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole
PubChem CID123254253
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole
SMILESC1CC(CC2=NCCS2)C1
InChIInChI=1S/C8H13NS/c1-2-7(3-1)6-8-9-4-5-10-8/h7H,1-6H2
InChIKeyUFLVXIHFARBTAC-UHFFFAOYSA-N
XLogP2.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole (CID 123254253) is 2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole is C1CC(CC2=NCCS2)C1.
What is the InChIKey of 2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is UFLVXIHFARBTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-7(3-1)6-8-9-4-5-10-8/h7H,1-6H2.
What are the key properties of 2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole?
2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 123254253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).