1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine

C12H24N4S — CID 65268315

IUPAC1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(C)ns1
InChIInChI=1S/C12H24N4S/c1-5-16(6-2)9-7-8-10(3)13-12-14-11(4)15-17-12/h10H,5-9H2,1-4H3,(H,13,14,15)
InChIKeyUVCOFFMZNYUCHL-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.77
Rot. Bonds8

About 1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine

1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine (PubChem CID 65268315) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine
PubChem CID65268315
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(C)ns1
InChIInChI=1S/C12H24N4S/c1-5-16(6-2)9-7-8-10(3)13-12-14-11(4)15-17-12/h10H,5-9H2,1-4H3,(H,13,14,15)
InChIKeyUVCOFFMZNYUCHL-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine (CID 65268315) is 1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine is CCN(CC)CCCC(C)Nc1nc(C)ns1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine?
The InChIKey is UVCOFFMZNYUCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-5-16(6-2)9-7-8-10(3)13-12-14-11(4)15-17-12/h10H,5-9H2,1-4H3,(H,13,14,15).
What are the key properties of 1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine has a molecular weight of 256.42 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(3-methyl-1,2,4-thiadiazol-5-yl)pentane-1,4-diamine is sourced from PubChem (CID 65268315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).