2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole

C9H13NOS — CID 58513738

IUPAC2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole
SMILESCOC1(c2ncc(C)s2)CCC1
InChIInChI=1S/C9H13NOS/c1-7-6-10-8(12-7)9(11-2)4-3-5-9/h6H,3-5H2,1-2H3
InChIKeyCVGRLRUHLNVSEK-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.48
Rot. Bonds2

About 2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole

2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole (PubChem CID 58513738) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole
PubChem CID58513738
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole
SMILESCOC1(c2ncc(C)s2)CCC1
InChIInChI=1S/C9H13NOS/c1-7-6-10-8(12-7)9(11-2)4-3-5-9/h6H,3-5H2,1-2H3
InChIKeyCVGRLRUHLNVSEK-UHFFFAOYSA-N
XLogP2.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole (CID 58513738) is 2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole is COC1(c2ncc(C)s2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole?
The InChIKey is CVGRLRUHLNVSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7-6-10-8(12-7)9(11-2)4-3-5-9/h6H,3-5H2,1-2H3.
What are the key properties of 2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole?
2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole has a molecular weight of 183.28 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 58513738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).