3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine

C9H18N4S — CID 65268472

IUPAC3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCCNc1nc(N(CC)CC)ns1
InChIInChI=1S/C9H18N4S/c1-4-7-10-9-11-8(12-14-9)13(5-2)6-3/h4-7H2,1-3H3,(H,10,11,12)
InChIKeyFDWAMIHKLVQHFE-UHFFFAOYSA-N
MW214.34 g/mol
LogP2.21
Rot. Bonds6

About 3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine

3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 65268472) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID65268472
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCCNc1nc(N(CC)CC)ns1
InChIInChI=1S/C9H18N4S/c1-4-7-10-9-11-8(12-14-9)13(5-2)6-3/h4-7H2,1-3H3,(H,10,11,12)
InChIKeyFDWAMIHKLVQHFE-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine (CID 65268472) is 3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine is CCCNc1nc(N(CC)CC)ns1.
What is the InChIKey of 3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is FDWAMIHKLVQHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-4-7-10-9-11-8(12-14-9)13(5-2)6-3/h4-7H2,1-3H3,(H,10,11,12).
What are the key properties of 3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine?
3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 214.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-5-N-propyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 65268472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).