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

C7H12N2O2S — CID 65273410

IUPAC1-methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol
SMILESCOCC(O)Cc1nc(C)ns1
InChIInChI=1S/C7H12N2O2S/c1-5-8-7(12-9-5)3-6(10)4-11-2/h6,10H,3-4H2,1-2H3
InChIKeyYBPISWBKNIOBGN-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.40
Rot. Bonds4

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

1-methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol (PubChem CID 65273410) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol
PubChem CID65273410
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name1-methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol
SMILESCOCC(O)Cc1nc(C)ns1
InChIInChI=1S/C7H12N2O2S/c1-5-8-7(12-9-5)3-6(10)4-11-2/h6,10H,3-4H2,1-2H3
InChIKeyYBPISWBKNIOBGN-UHFFFAOYSA-N
XLogP0.40
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Hydroxypropyl)-3-methyl-1,2,4-thiadiazole
CID 18967881
2-(3-Methyl-1,2,4-thiadiazol-5-yl)ethanol
CID 83674191
1-(5-Propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 90398015
1-(5-Methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 90400215
1-(3-Methyl-1,2,4-thiadiazol-5-yl)propan-2-ol
CID 65273469
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
CID 65273471
1-(3-Methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273531
3-(3-Methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273533
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol
CID 65279888
1-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)propan-2-ol
CID 65279889
1-(3-Propyl-1,2,4-thiadiazol-5-yl)propan-2-ol
CID 65279949
1-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)propan-2-ol
CID 65279950

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The IUPAC name of 1-methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol (CID 65273410) is 1-methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol is COCC(O)Cc1nc(C)ns1.
What is the InChIKey of 1-methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
The InChIKey is YBPISWBKNIOBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-5-8-7(12-9-5)3-6(10)4-11-2/h6,10H,3-4H2,1-2H3.
What are the key properties of 1-methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol?
1-methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol has a molecular weight of 188.25 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 65273410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).