5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine

C8H16N4S — CID 66278357

IUPAC5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine
SMILESCCC(CC)N(C)c1nc(N)ns1
InChIInChI=1S/C8H16N4S/c1-4-6(5-2)12(3)8-10-7(9)11-13-8/h6H,4-5H2,1-3H3,(H2,9,11)
InChIKeySFNAANRGISROGJ-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.75
Rot. Bonds4

About 5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine

5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66278357) has the molecular formula C8H16N4S and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine
PubChem CID66278357
Molecular FormulaC8H16N4S
Molecular Weight200.31 g/mol
Exact Mass200.11
IUPAC Name5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine
SMILESCCC(CC)N(C)c1nc(N)ns1
InChIInChI=1S/C8H16N4S/c1-4-6(5-2)12(3)8-10-7(9)11-13-8/h6H,4-5H2,1-3H3,(H2,9,11)
InChIKeySFNAANRGISROGJ-UHFFFAOYSA-N
XLogP1.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine (CID 66278357) is 5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine is CCC(CC)N(C)c1nc(N)ns1.
What is the InChIKey of 5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is SFNAANRGISROGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S/c1-4-6(5-2)12(3)8-10-7(9)11-13-8/h6H,4-5H2,1-3H3,(H2,9,11).
What are the key properties of 5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine?
5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 200.31 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-pentan-3-yl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66278357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).