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

C10H14N2OS — CID 65280778

IUPAC3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pentan-2-one
SMILESCCC(C(C)=O)c1nc(C2CC2)ns1
InChIInChI=1S/C10H14N2OS/c1-3-8(6(2)13)10-11-9(12-14-10)7-4-5-7/h7-8H,3-5H2,1-2H3
InChIKeyYDCYFIDBINCXCT-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.50
Rot. Bonds4

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

3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pentan-2-one (PubChem CID 65280778) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pentan-2-one
PubChem CID65280778
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pentan-2-one
SMILESCCC(C(C)=O)c1nc(C2CC2)ns1
InChIInChI=1S/C10H14N2OS/c1-3-8(6(2)13)10-11-9(12-14-10)7-4-5-7/h7-8H,3-5H2,1-2H3
InChIKeyYDCYFIDBINCXCT-UHFFFAOYSA-N
XLogP2.50
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-(2-methylphenyl)propanoic acid
CID 104572917
2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine
CID 65280554
3-(4-bromophenyl)-2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid
CID 104572558
3-(2-chlorophenyl)-2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propanoic acid
CID 104572789
N-[2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethyl]acetamide
CID 65271621
3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N,4-dimethylpentan-2-amine
CID 65280235
3-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 63196473
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-N,N-diethylpropanamide
CID 113408656
3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
CID 65270826
(2S)-2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]hexanoic acid
CID 122062834
(2S,3S)-2-[(3-cyclopentyl-1,2,4-thiadiazol-5-yl)amino]-3-methylpentanoic acid
CID 122106295
3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 80637565

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pentan-2-one?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pentan-2-one (CID 65280778) is 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pentan-2-one.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pentan-2-one?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pentan-2-one is CCC(C(C)=O)c1nc(C2CC2)ns1.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pentan-2-one?
The InChIKey is YDCYFIDBINCXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-3-8(6(2)13)10-11-9(12-14-10)7-4-5-7/h7-8H,3-5H2,1-2H3.
What are the key properties of 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pentan-2-one?
3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pentan-2-one has a molecular weight of 210.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pentan-2-one is sourced from PubChem (CID 65280778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).