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

C8H14N2OS — CID 65273470

IUPAC3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
SMILESCCC(c1nc(C)ns1)C(C)O
InChIInChI=1S/C8H14N2OS/c1-4-7(5(2)11)8-9-6(3)10-12-8/h5,7,11H,4H2,1-3H3
InChIKeyCEZPATBJTUAMLL-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.72
Rot. Bonds3

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

3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol (PubChem CID 65273470) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
PubChem CID65273470
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
SMILESCCC(c1nc(C)ns1)C(C)O
InChIInChI=1S/C8H14N2OS/c1-4-7(5(2)11)8-9-6(3)10-12-8/h5,7,11H,4H2,1-3H3
InChIKeyCEZPATBJTUAMLL-UHFFFAOYSA-N
XLogP1.72
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
4-Methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol
CID 65273411
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
3,3-Dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273472
1-(3-Methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273531
3-Methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273532
3-(3-Methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273533
1-Cyclopropyl-2-(3-methyl-1,2,4-thiadiazol-5-yl)ethanol
CID 65273534
2-(3-Methyl-1,2,4-thiadiazol-5-yl)pentan-3-ol
CID 65273535
2-(3-Ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile
CID 65277324

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
The IUPAC name of 3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol (CID 65273470) is 3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol.
What is the SMILES notation for 3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
The canonical SMILES for 3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol is CCC(c1nc(C)ns1)C(C)O.
What is the InChIKey of 3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
The InChIKey is CEZPATBJTUAMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-4-7(5(2)11)8-9-6(3)10-12-8/h5,7,11H,4H2,1-3H3.
What are the key properties of 3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol?
3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-thiadiazol-5-yl)pentan-2-ol is sourced from PubChem (CID 65273470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).