4-cyclobutyl-2-methyl-1,3-thiazole

C8H11NS — CID 11073627

IUPAC4-cyclobutyl-2-methyl-1,3-thiazole
SMILESCc1nc(C2CCC2)cs1
InChIInChI=1S/C8H11NS/c1-6-9-8(5-10-6)7-3-2-4-7/h5,7H,2-4H2,1H3
InChIKeyWLKYXMNPVZPLQH-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.72
Rot. Bonds1

About 4-cyclobutyl-2-methyl-1,3-thiazole

4-cyclobutyl-2-methyl-1,3-thiazole (PubChem CID 11073627) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4-cyclobutyl-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-cyclobutyl-2-methyl-1,3-thiazole
PubChem CID11073627
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4-cyclobutyl-2-methyl-1,3-thiazole
SMILESCc1nc(C2CCC2)cs1
InChIInChI=1S/C8H11NS/c1-6-9-8(5-10-6)7-3-2-4-7/h5,7H,2-4H2,1H3
InChIKeyWLKYXMNPVZPLQH-UHFFFAOYSA-N
XLogP2.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-2-methyl-1,3-thiazole?
The IUPAC name of 4-cyclobutyl-2-methyl-1,3-thiazole (CID 11073627) is 4-cyclobutyl-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-cyclobutyl-2-methyl-1,3-thiazole?
The canonical SMILES for 4-cyclobutyl-2-methyl-1,3-thiazole is Cc1nc(C2CCC2)cs1.
What is the InChIKey of 4-cyclobutyl-2-methyl-1,3-thiazole?
The InChIKey is WLKYXMNPVZPLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6-9-8(5-10-6)7-3-2-4-7/h5,7H,2-4H2,1H3.
What are the key properties of 4-cyclobutyl-2-methyl-1,3-thiazole?
4-cyclobutyl-2-methyl-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-2-methyl-1,3-thiazole is sourced from PubChem (CID 11073627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).