4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole

C12H19NOS — CID 116734574

IUPAC4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole
SMILESCOC1(c2nc(C(C)(C)C)cs2)CCC1
InChIInChI=1S/C12H19NOS/c1-11(2,3)9-8-15-10(13-9)12(14-4)6-5-7-12/h8H,5-7H2,1-4H3
InChIKeyIVSOYOZGLWTOMW-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.47
Rot. Bonds2

About 4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole

4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole (PubChem CID 116734574) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole.

Molecular Properties

Compound Name4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole
PubChem CID116734574
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole
SMILESCOC1(c2nc(C(C)(C)C)cs2)CCC1
InChIInChI=1S/C12H19NOS/c1-11(2,3)9-8-15-10(13-9)12(14-4)6-5-7-12/h8H,5-7H2,1-4H3
InChIKeyIVSOYOZGLWTOMW-UHFFFAOYSA-N
XLogP3.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole?
The IUPAC name of 4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole (CID 116734574) is 4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole.
What is the SMILES notation for 4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole?
The canonical SMILES for 4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole is COC1(c2nc(C(C)(C)C)cs2)CCC1.
What is the InChIKey of 4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole?
The InChIKey is IVSOYOZGLWTOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-11(2,3)9-8-15-10(13-9)12(14-4)6-5-7-12/h8H,5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole?
4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(1-methoxycyclobutyl)-1,3-thiazole is sourced from PubChem (CID 116734574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).