N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine

C7H14N4S — CID 43663776

IUPACN',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCc1csnn1
InChIInChI=1S/C7H14N4S/c1-11(2)4-3-8-5-7-6-12-10-9-7/h6,8H,3-5H2,1-2H3
InChIKeyWGECAHHLKJBINQ-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.19
Rot. Bonds5

About N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine

N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine (PubChem CID 43663776) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
PubChem CID43663776
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC NameN',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCc1csnn1
InChIInChI=1S/C7H14N4S/c1-11(2)4-3-8-5-7-6-12-10-9-7/h6,8H,3-5H2,1-2H3
InChIKeyWGECAHHLKJBINQ-UHFFFAOYSA-N
XLogP0.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine (CID 43663776) is N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine is CN(C)CCNCc1csnn1.
What is the InChIKey of N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is WGECAHHLKJBINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-11(2)4-3-8-5-7-6-12-10-9-7/h6,8H,3-5H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 186.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43663776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).