4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one

C9H15N3OS2 — CID 64726080

IUPAC4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one
SMILESCC(=O)CC(C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C9H15N3OS2/c1-6(13)5-7(2)14-9-11-10-8(15-9)12(3)4/h7H,5H2,1-4H3
InChIKeyBKZMXVKIFINTIV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.06
Rot. Bonds5

About 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one

4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one (PubChem CID 64726080) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one.

Molecular Properties

Compound Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one
PubChem CID64726080
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one
SMILESCC(=O)CC(C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C9H15N3OS2/c1-6(13)5-7(2)14-9-11-10-8(15-9)12(3)4/h7H,5H2,1-4H3
InChIKeyBKZMXVKIFINTIV-UHFFFAOYSA-N
XLogP2.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol
CID 64806498
3-amino-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4,4-dimethylpentan-1-ol
CID 114369819
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanamide
CID 63738028
methyl 2-bromo-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 81091198
methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 63737450
5-[1-(4-aminophenyl)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737460
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol
CID 79822181
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanehydrazide
CID 63737003
5-(4-aminoheptan-3-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64610056
methyl 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)propanoate
CID 63736629
5-[2-amino-1-(4-methylphenyl)ethyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55241820
5-(2-amino-1-thiophen-2-ylethyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739397

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one?
The IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one (CID 64726080) is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one.
What is the SMILES notation for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one?
The canonical SMILES for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one is CC(=O)CC(C)Sc1nnc(N(C)C)s1.
What is the InChIKey of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one?
The InChIKey is BKZMXVKIFINTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS2/c1-6(13)5-7(2)14-9-11-10-8(15-9)12(3)4/h7H,5H2,1-4H3.
What are the key properties of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one?
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one has a molecular weight of 245.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-2-one is sourced from PubChem (CID 64726080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).