4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol

C9H16N2O2S — CID 103028152

IUPAC4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cnsn1
InChIInChI=1S/C9H16N2O2S/c1-9(2,13-3)5-4-8(12)7-6-10-14-11-7/h6,8,12H,4-5H2,1-3H3
InChIKeyAXHAHYAPNAPVJY-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.78
Rot. Bonds5

About 4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol

4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol (PubChem CID 103028152) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol
PubChem CID103028152
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol
SMILESCOC(C)(C)CCC(O)c1cnsn1
InChIInChI=1S/C9H16N2O2S/c1-9(2,13-3)5-4-8(12)7-6-10-14-11-7/h6,8,12H,4-5H2,1-3H3
InChIKeyAXHAHYAPNAPVJY-UHFFFAOYSA-N
XLogP1.78
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol
CID 103348199
4-methoxy-4-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-ol
CID 103035234
4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol
CID 103028394
1-(5-bromo-3-pyridinyl)-4-methoxy-4-methylpentan-1-ol
CID 103028415
4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol
CID 103035297
4-methoxy-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-ol
CID 103028364
3-methyl-1-(1,2,5-thiadiazol-3-yl)but-3-en-1-ol
CID 105110023
1-(5-bromothiophen-3-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028428
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-ol
CID 103028130
1-(4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol
CID 103028171
4-methoxy-1-(4-methoxyphenyl)-4-methylpentan-1-ol
CID 103028229

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol?
The IUPAC name of 4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol (CID 103028152) is 4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol is COC(C)(C)CCC(O)c1cnsn1.
What is the InChIKey of 4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol?
The InChIKey is AXHAHYAPNAPVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-9(2,13-3)5-4-8(12)7-6-10-14-11-7/h6,8,12H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol?
4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol has a molecular weight of 216.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-ol is sourced from PubChem (CID 103028152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).