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

C7H12N2OS — CID 65273533

IUPAC3-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
SMILESCc1nsc(C(C)C(C)O)n1
InChIInChI=1S/C7H12N2OS/c1-4(5(2)10)7-8-6(3)9-11-7/h4-5,10H,1-3H3
InChIKeyIKOKWSNVUSEZRB-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.33
Rot. Bonds2

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

3-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol (PubChem CID 65273533) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
PubChem CID65273533
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
SMILESCc1nsc(C(C)C(C)O)n1
InChIInChI=1S/C7H12N2OS/c1-4(5(2)10)7-8-6(3)9-11-7/h4-5,10H,1-3H3
InChIKeyIKOKWSNVUSEZRB-UHFFFAOYSA-N
XLogP1.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The IUPAC name of 3-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol (CID 65273533) is 3-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol is Cc1nsc(C(C)C(C)O)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The InChIKey is IKOKWSNVUSEZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-4(5(2)10)7-8-6(3)9-11-7/h4-5,10H,1-3H3.
What are the key properties of 3-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
3-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol has a molecular weight of 172.25 g/mol, XLogP of 1.33, 2 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)butan-2-ol is sourced from PubChem (CID 65273533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).