5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C8H15N3S — CID 126510689

IUPAC5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(C(C)(C)C)s1
InChIInChI=1S/C8H15N3S/c1-8(2,3)6-9-10-7(12-6)11(4)5/h1-5H3
InChIKeyVVKFQNPZTQXWME-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.90
Rot. Bonds1

About 5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 126510689) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID126510689
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(C(C)(C)C)s1
InChIInChI=1S/C8H15N3S/c1-8(2,3)6-9-10-7(12-6)11(4)5/h1-5H3
InChIKeyVVKFQNPZTQXWME-UHFFFAOYSA-N
XLogP1.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 126510689) is 5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(C(C)(C)C)s1.
What is the InChIKey of 5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VVKFQNPZTQXWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-8(2,3)6-9-10-7(12-6)11(4)5/h1-5H3.
What are the key properties of 5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 185.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 126510689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).