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

C10H20N4S — CID 64982583

IUPAC1-N,1-N-diethyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1nnc(C)s1
InChIInChI=1S/C10H20N4S/c1-5-14(6-2)7-8(3)11-10-13-12-9(4)15-10/h8H,5-7H2,1-4H3,(H,11,13)
InChIKeyXLQBYRQVXBXOEO-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.99
Rot. Bonds6

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

1-N,1-N-diethyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine (PubChem CID 64982583) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
PubChem CID64982583
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name1-N,1-N-diethyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1nnc(C)s1
InChIInChI=1S/C10H20N4S/c1-5-14(6-2)7-8(3)11-10-13-12-9(4)15-10/h8H,5-7H2,1-4H3,(H,11,13)
InChIKeyXLQBYRQVXBXOEO-UHFFFAOYSA-N
XLogP1.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-N-(propan-2-yl)-1,3,4-thiadiazol-2-amine
CID 544670
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 131890377
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606785
N-methyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606893
N-ethyl-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606894
5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607000
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607004
N-ethyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607104
N-ethyl-5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607108
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607217
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607322
5-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80607323

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine (CID 64982583) is 1-N,1-N-diethyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine is CCN(CC)CC(C)Nc1nnc(C)s1.
What is the InChIKey of 1-N,1-N-diethyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine?
The InChIKey is XLQBYRQVXBXOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-5-14(6-2)7-8(3)11-10-13-12-9(4)15-10/h8H,5-7H2,1-4H3,(H,11,13).
What are the key properties of 1-N,1-N-diethyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine?
1-N,1-N-diethyl-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine has a molecular weight of 228.36 g/mol, XLogP of 1.99, 6 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-2-N-(5-methyl-1,3,4-thiadiazol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 64982583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).