5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine

C7H14N4S — CID 129317777

IUPAC5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)C(N)Cc1nnc(N)s1
InChIInChI=1S/C7H14N4S/c1-4(2)5(8)3-6-10-11-7(9)12-6/h4-5H,3,8H2,1-2H3,(H2,9,11)
InChIKeyFMXLXFNCKDMVSQ-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.65
Rot. Bonds3

About 5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine

5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine (PubChem CID 129317777) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is 5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine
PubChem CID129317777
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC Name5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)C(N)Cc1nnc(N)s1
InChIInChI=1S/C7H14N4S/c1-4(2)5(8)3-6-10-11-7(9)12-6/h4-5H,3,8H2,1-2H3,(H2,9,11)
InChIKeyFMXLXFNCKDMVSQ-UHFFFAOYSA-N
XLogP0.65
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine (CID 129317777) is 5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine is CC(C)C(N)Cc1nnc(N)s1.
What is the InChIKey of 5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FMXLXFNCKDMVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-4(2)5(8)3-6-10-11-7(9)12-6/h4-5H,3,8H2,1-2H3,(H2,9,11).
What are the key properties of 5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine?
5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 186.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-methylbutyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 129317777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).