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

C9H16N2OS — CID 65280436

IUPAC3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol
SMILESCCCc1nsc(C(C)C(C)O)n1
InChIInChI=1S/C9H16N2OS/c1-4-5-8-10-9(13-11-8)6(2)7(3)12/h6-7,12H,4-5H2,1-3H3
InChIKeyIROVQYUIYQIRSW-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.97
Rot. Bonds4

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

3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol (PubChem CID 65280436) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol
PubChem CID65280436
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol
SMILESCCCc1nsc(C(C)C(C)O)n1
InChIInChI=1S/C9H16N2OS/c1-4-5-8-10-9(13-11-8)6(2)7(3)12/h6-7,12H,4-5H2,1-3H3
InChIKeyIROVQYUIYQIRSW-UHFFFAOYSA-N
XLogP1.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The IUPAC name of 3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol (CID 65280436) is 3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol is CCCc1nsc(C(C)C(C)O)n1.
What is the InChIKey of 3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
The InChIKey is IROVQYUIYQIRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-4-5-8-10-9(13-11-8)6(2)7(3)12/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol?
3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol has a molecular weight of 200.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 65280436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).