5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole

C10H18N4S — CID 65271904

IUPAC5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(N2CCNC(C)C2)n1
InChIInChI=1S/C10H18N4S/c1-3-4-9-12-10(15-13-9)14-6-5-11-8(2)7-14/h8,11H,3-7H2,1-2H3
InChIKeyDYBWWVAPUAKAMO-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.29
Rot. Bonds3

About 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole

5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole (PubChem CID 65271904) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole
PubChem CID65271904
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(N2CCNC(C)C2)n1
InChIInChI=1S/C10H18N4S/c1-3-4-9-12-10(15-13-9)14-6-5-11-8(2)7-14/h8,11H,3-7H2,1-2H3
InChIKeyDYBWWVAPUAKAMO-UHFFFAOYSA-N
XLogP1.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-Diazabicyclo[2.2.1]heptan-2-yl)-3-methyl-1,2,4-thiadiazole
CID 18999097
N-(1-methylpiperidin-3-yl)-N'-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 46990307
3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
1-(3-Methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 58397876
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
(3S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 97823064
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 122149506
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 125423962
2-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile
CID 126829220
N'-butan-2-yl-N'-methyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105970127

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole (CID 65271904) is 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole is CCCc1nsc(N2CCNC(C)C2)n1.
What is the InChIKey of 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole?
The InChIKey is DYBWWVAPUAKAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-4-9-12-10(15-13-9)14-6-5-11-8(2)7-14/h8,11H,3-7H2,1-2H3.
What are the key properties of 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole?
5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole has a molecular weight of 226.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole is sourced from PubChem (CID 65271904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).