1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol

C10H15NO2S — CID 126999971

IUPAC1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol
SMILESCOc1cc(C2(O)CC(C)C2C)sn1
InChIInChI=1S/C10H15NO2S/c1-6-5-10(12,7(6)2)8-4-9(13-3)11-14-8/h4,6-7,12H,5H2,1-3H3
InChIKeyZNKIVMYCFBSHEP-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.02
Rot. Bonds2

About 1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol

1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol (PubChem CID 126999971) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol
PubChem CID126999971
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol
SMILESCOc1cc(C2(O)CC(C)C2C)sn1
InChIInChI=1S/C10H15NO2S/c1-6-5-10(12,7(6)2)8-4-9(13-3)11-14-8/h4,6-7,12H,5H2,1-3H3
InChIKeyZNKIVMYCFBSHEP-UHFFFAOYSA-N
XLogP2.02
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol?
The IUPAC name of 1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol (CID 126999971) is 1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol.
What is the SMILES notation for 1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol?
The canonical SMILES for 1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol is COc1cc(C2(O)CC(C)C2C)sn1.
What is the InChIKey of 1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol?
The InChIKey is ZNKIVMYCFBSHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-6-5-10(12,7(6)2)8-4-9(13-3)11-14-8/h4,6-7,12H,5H2,1-3H3.
What are the key properties of 1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol?
1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol has a molecular weight of 213.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1,2-thiazol-5-yl)-2,3-dimethylcyclobutan-1-ol is sourced from PubChem (CID 126999971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).