5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C8H16N4S2 — CID 104523454

IUPAC5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SC(C)(C)CN)s1
InChIInChI=1S/C8H16N4S2/c1-8(2,5-9)14-7-11-10-6(13-7)12(3)4/h5,9H2,1-4H3
InChIKeyHJEDZEGARJKZRE-UHFFFAOYSA-N
MW232.38 g/mol
LogP1.43
Rot. Bonds4

About 5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 104523454) has the molecular formula C8H16N4S2 and a molecular weight of 232.38 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID104523454
Molecular FormulaC8H16N4S2
Molecular Weight232.38 g/mol
Exact Mass232.08
IUPAC Name5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SC(C)(C)CN)s1
InChIInChI=1S/C8H16N4S2/c1-8(2,5-9)14-7-11-10-6(13-7)12(3)4/h5,9H2,1-4H3
InChIKeyHJEDZEGARJKZRE-UHFFFAOYSA-N
XLogP1.43
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 104523454) is 5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SC(C)(C)CN)s1.
What is the InChIKey of 5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HJEDZEGARJKZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4S2/c1-8(2,5-9)14-7-11-10-6(13-7)12(3)4/h5,9H2,1-4H3.
What are the key properties of 5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 232.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropan-2-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104523454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).