1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine

C9H17N3S — CID 59446211

IUPAC1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc(C(C)(C)C)s1
InChIInChI=1S/C9H17N3S/c1-9(2,3)8-11-10-7(13-8)6-12(4)5/h6H2,1-5H3
InChIKeyNPSOQURVJGEPLZ-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.90
Rot. Bonds2

About 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine (PubChem CID 59446211) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine
PubChem CID59446211
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc(C(C)(C)C)s1
InChIInChI=1S/C9H17N3S/c1-9(2,3)8-11-10-7(13-8)6-12(4)5/h6H2,1-5H3
InChIKeyNPSOQURVJGEPLZ-UHFFFAOYSA-N
XLogP1.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine (CID 59446211) is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine is CN(C)Cc1nnc(C(C)(C)C)s1.
What is the InChIKey of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine?
The InChIKey is NPSOQURVJGEPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-9(2,3)8-11-10-7(13-8)6-12(4)5/h6H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine?
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine has a molecular weight of 199.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 59446211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).