5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine

C7H13N3S — CID 4692541

IUPAC5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)Cc1nnc(N)s1
InChIInChI=1S/C7H13N3S/c1-7(2,3)4-5-9-10-6(8)11-5/h4H2,1-3H3,(H2,8,10)
InChIKeyVCOZXURUMNAAAB-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.71
Rot. Bonds1

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

5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 4692541) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID4692541
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)(C)Cc1nnc(N)s1
InChIInChI=1S/C7H13N3S/c1-7(2,3)4-5-9-10-6(8)11-5/h4H2,1-3H3,(H2,8,10)
InChIKeyVCOZXURUMNAAAB-UHFFFAOYSA-N
XLogP1.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine (CID 4692541) is 5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)(C)Cc1nnc(N)s1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VCOZXURUMNAAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-7(2,3)4-5-9-10-6(8)11-5/h4H2,1-3H3,(H2,8,10).
What are the key properties of 5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine?
5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 4692541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).