2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine

C13H25N5S — CID 65272260

IUPAC2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine
SMILESCCCc1nsc(N2CCN(C(C)(C)CN)CC2)n1
InChIInChI=1S/C13H25N5S/c1-4-5-11-15-12(19-16-11)17-6-8-18(9-7-17)13(2,3)10-14/h4-10,14H2,1-3H3
InChIKeyNFMPXUFKQGTRLU-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.35
Rot. Bonds5

About 2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine

2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine (PubChem CID 65272260) has the molecular formula C13H25N5S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine
PubChem CID65272260
Molecular FormulaC13H25N5S
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC Name2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine
SMILESCCCc1nsc(N2CCN(C(C)(C)CN)CC2)n1
InChIInChI=1S/C13H25N5S/c1-4-5-11-15-12(19-16-11)17-6-8-18(9-7-17)13(2,3)10-14/h4-10,14H2,1-3H3
InChIKeyNFMPXUFKQGTRLU-UHFFFAOYSA-N
XLogP1.35
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 65272318
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
CID 65274711
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanethioamide
CID 65272500
4-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-ol
CID 81114967
1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
CID 103976799
2-methyl-N-[[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]propan-2-amine
CID 65280390
5-(3-methylpiperazin-1-yl)-3-propyl-1,2,4-thiadiazole
CID 65271904
6-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyridin-3-amine
CID 65275761
2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentanethioamide
CID 65271947
1-(3-propyl-1,2,4-thiadiazol-5-yl)azetidin-3-ol
CID 65275177
2-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 63339957
N-methyl-1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]methanamine
CID 65276254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine (CID 65272260) is 2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine is CCCc1nsc(N2CCN(C(C)(C)CN)CC2)n1.
What is the InChIKey of 2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is NFMPXUFKQGTRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5S/c1-4-5-11-15-12(19-16-11)17-6-8-18(9-7-17)13(2,3)10-14/h4-10,14H2,1-3H3.
What are the key properties of 2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine?
2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(3-propyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 65272260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).