2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine

C9H18N4S — CID 115306160

IUPAC2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine
SMILESCCC(N)(CC)CNc1nnc(C)s1
InChIInChI=1S/C9H18N4S/c1-4-9(10,5-2)6-11-8-13-12-7(3)14-8/h4-6,10H2,1-3H3,(H,11,13)
InChIKeyFBGNQGYAGQAXRU-UHFFFAOYSA-N
MW214.34 g/mol
LogP1.78
Rot. Bonds5

About 2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine

2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine (PubChem CID 115306160) has the molecular formula C9H18N4S and a molecular weight of 214.34 g/mol. Its IUPAC name is 2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine
PubChem CID115306160
Molecular FormulaC9H18N4S
Molecular Weight214.34 g/mol
Exact Mass214.13
IUPAC Name2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine
SMILESCCC(N)(CC)CNc1nnc(C)s1
InChIInChI=1S/C9H18N4S/c1-4-9(10,5-2)6-11-8-13-12-7(3)14-8/h4-6,10H2,1-3H3,(H,11,13)
InChIKeyFBGNQGYAGQAXRU-UHFFFAOYSA-N
XLogP1.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine (CID 115306160) is 2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine is CCC(N)(CC)CNc1nnc(C)s1.
What is the InChIKey of 2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine?
The InChIKey is FBGNQGYAGQAXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4S/c1-4-9(10,5-2)6-11-8-13-12-7(3)14-8/h4-6,10H2,1-3H3,(H,11,13).
What are the key properties of 2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine?
2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine has a molecular weight of 214.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine is sourced from PubChem (CID 115306160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).