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

C9H16N2OS — CID 65273472

IUPAC3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
SMILESCc1nsc(CC(O)C(C)(C)C)n1
InChIInChI=1S/C9H16N2OS/c1-6-10-8(13-11-6)5-7(12)9(2,3)4/h7,12H,5H2,1-4H3
InChIKeyIJOJKNWQXUCPRP-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.80
Rot. Bonds2

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

3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol (PubChem CID 65273472) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
PubChem CID65273472
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
SMILESCc1nsc(CC(O)C(C)(C)C)n1
InChIInChI=1S/C9H16N2OS/c1-6-10-8(13-11-6)5-7(12)9(2,3)4/h7,12H,5H2,1-4H3
InChIKeyIJOJKNWQXUCPRP-UHFFFAOYSA-N
XLogP1.80
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol (CID 65273472) is 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol is Cc1nsc(CC(O)C(C)(C)C)n1.
What is the InChIKey of 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The InChIKey is IJOJKNWQXUCPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6-10-8(13-11-6)5-7(12)9(2,3)4/h7,12H,5H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol has a molecular weight of 200.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 65273472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).