N,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine

C10H20N4S — CID 43663839

IUPACN,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1csnn1
InChIInChI=1S/C10H20N4S/c1-10(2,8-14(3)4)7-11-5-9-6-15-13-12-9/h6,11H,5,7-8H2,1-4H3
InChIKeyRUARFUTXQXGPIA-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.22
Rot. Bonds6

About N,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine

N,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine (PubChem CID 43663839) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine
PubChem CID43663839
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC NameN,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCc1csnn1
InChIInChI=1S/C10H20N4S/c1-10(2,8-14(3)4)7-11-5-9-6-15-13-12-9/h6,11H,5,7-8H2,1-4H3
InChIKeyRUARFUTXQXGPIA-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine (CID 43663839) is N,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine is CN(C)CC(C)(C)CNCc1csnn1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine?
The InChIKey is RUARFUTXQXGPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-10(2,8-14(3)4)7-11-5-9-6-15-13-12-9/h6,11H,5,7-8H2,1-4H3.
What are the key properties of N,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine has a molecular weight of 228.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-(thiadiazol-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 43663839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).