ethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole

C11H19NOS — CID 171505848

IUPACethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole
SMILESCC.CCc1c(C2COC2)nsc1C
InChIInChI=1S/C9H13NOS.C2H6/c1-3-8-6(2)12-10-9(8)7-4-11-5-7;1-2/h7H,3-5H2,1-2H3;1-2H3
InChIKeyDLBSUBVTJAYEPG-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.15
Rot. Bonds2

About ethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole

ethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole (PubChem CID 171505848) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is ethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole.

Molecular Properties

Compound Nameethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole
PubChem CID171505848
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Nameethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole
SMILESCC.CCc1c(C2COC2)nsc1C
InChIInChI=1S/C9H13NOS.C2H6/c1-3-8-6(2)12-10-9(8)7-4-11-5-7;1-2/h7H,3-5H2,1-2H3;1-2H3
InChIKeyDLBSUBVTJAYEPG-UHFFFAOYSA-N
XLogP3.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole?
The IUPAC name of ethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole (CID 171505848) is ethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole.
What is the SMILES notation for ethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole?
The canonical SMILES for ethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole is CC.CCc1c(C2COC2)nsc1C.
What is the InChIKey of ethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole?
The InChIKey is DLBSUBVTJAYEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS.C2H6/c1-3-8-6(2)12-10-9(8)7-4-11-5-7;1-2/h7H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole?
ethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole has a molecular weight of 213.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-5-methyl-3-(oxetan-3-yl)-1,2-thiazole is sourced from PubChem (CID 171505848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).