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

C10H20N4S — CID 65268031

IUPACN,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCc1nsc(NCC(C)(C)CN(C)C)n1
InChIInChI=1S/C10H20N4S/c1-8-12-9(15-13-8)11-6-10(2,3)7-14(4)5/h6-7H2,1-5H3,(H,11,12,13)
InChIKeyIZRKZVXGCYQQRS-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.85
Rot. Bonds5

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

N,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65268031) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65268031
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC NameN,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCc1nsc(NCC(C)(C)CN(C)C)n1
InChIInChI=1S/C10H20N4S/c1-8-12-9(15-13-8)11-6-10(2,3)7-14(4)5/h6-7H2,1-5H3,(H,11,12,13)
InChIKeyIZRKZVXGCYQQRS-UHFFFAOYSA-N
XLogP1.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.85
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'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65268031) is N,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is Cc1nsc(NCC(C)(C)CN(C)C)n1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is IZRKZVXGCYQQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-8-12-9(15-13-8)11-6-10(2,3)7-14(4)5/h6-7H2,1-5H3,(H,11,12,13).
What are the key properties of N,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 228.36 g/mol, XLogP of 1.85, 5 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'-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65268031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).