1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one

C10H16N2OS — CID 130328604

IUPAC1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one
SMILESCCCCC(=O)c1nc(C(C)C)ns1
InChIInChI=1S/C10H16N2OS/c1-4-5-6-8(13)10-11-9(7(2)3)12-14-10/h7H,4-6H2,1-3H3
InChIKeyYSKRMLMRFNAXSF-UHFFFAOYSA-N
MW212.32 g/mol
LogP3.03
Rot. Bonds5

About 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one

1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one (PubChem CID 130328604) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one
PubChem CID130328604
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one
SMILESCCCCC(=O)c1nc(C(C)C)ns1
InChIInChI=1S/C10H16N2OS/c1-4-5-6-8(13)10-11-9(7(2)3)12-14-10/h7H,4-6H2,1-3H3
InChIKeyYSKRMLMRFNAXSF-UHFFFAOYSA-N
XLogP3.03
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one?
The IUPAC name of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one (CID 130328604) is 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one.
What is the SMILES notation for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one?
The canonical SMILES for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one is CCCCC(=O)c1nc(C(C)C)ns1.
What is the InChIKey of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one?
The InChIKey is YSKRMLMRFNAXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-5-6-8(13)10-11-9(7(2)3)12-14-10/h7H,4-6H2,1-3H3.
What are the key properties of 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one?
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one has a molecular weight of 212.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pentan-1-one is sourced from PubChem (CID 130328604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).