4-cyclobutyloxy-1,3-thiazole

C7H9NOS — CID 155234411

IUPAC4-cyclobutyloxy-1,3-thiazole
SMILESc1nc(OC2CCC2)cs1
InChIInChI=1S/C7H9NOS/c1-2-6(3-1)9-7-4-10-5-8-7/h4-6H,1-3H2
InChIKeyVKOPYTCHYZEOFH-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.07
Rot. Bonds2

About 4-cyclobutyloxy-1,3-thiazole

4-cyclobutyloxy-1,3-thiazole (PubChem CID 155234411) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 4-cyclobutyloxy-1,3-thiazole.

Molecular Properties

Compound Name4-cyclobutyloxy-1,3-thiazole
PubChem CID155234411
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name4-cyclobutyloxy-1,3-thiazole
SMILESc1nc(OC2CCC2)cs1
InChIInChI=1S/C7H9NOS/c1-2-6(3-1)9-7-4-10-5-8-7/h4-6H,1-3H2
InChIKeyVKOPYTCHYZEOFH-UHFFFAOYSA-N
XLogP2.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-1,3-thiazole?
The IUPAC name of 4-cyclobutyloxy-1,3-thiazole (CID 155234411) is 4-cyclobutyloxy-1,3-thiazole.
What is the SMILES notation for 4-cyclobutyloxy-1,3-thiazole?
The canonical SMILES for 4-cyclobutyloxy-1,3-thiazole is c1nc(OC2CCC2)cs1.
What is the InChIKey of 4-cyclobutyloxy-1,3-thiazole?
The InChIKey is VKOPYTCHYZEOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-2-6(3-1)9-7-4-10-5-8-7/h4-6H,1-3H2.
What are the key properties of 4-cyclobutyloxy-1,3-thiazole?
4-cyclobutyloxy-1,3-thiazole has a molecular weight of 155.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-1,3-thiazole is sourced from PubChem (CID 155234411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).