5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine

C8H15N3S — CID 130806498

IUPAC5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(c1nnc(N)s1)C(C)(C)C
InChIInChI=1S/C8H15N3S/c1-5(8(2,3)4)6-10-11-7(9)12-6/h5H,1-4H3,(H2,9,11)
InChIKeyXIJKIKKFVNAUIX-UHFFFAOYSA-N
MW185.30 g/mol
LogP2.27
Rot. Bonds1

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

5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 130806498) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID130806498
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(c1nnc(N)s1)C(C)(C)C
InChIInChI=1S/C8H15N3S/c1-5(8(2,3)4)6-10-11-7(9)12-6/h5H,1-4H3,(H2,9,11)
InChIKeyXIJKIKKFVNAUIX-UHFFFAOYSA-N
XLogP2.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine (CID 130806498) is 5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine is CC(c1nnc(N)s1)C(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XIJKIKKFVNAUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-5(8(2,3)4)6-10-11-7(9)12-6/h5H,1-4H3,(H2,9,11).
What are the key properties of 5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine?
5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutan-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130806498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).