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

C6H11N3S — CID 65268614

IUPACN-tert-butyl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)Nc1ncns1
InChIInChI=1S/C6H11N3S/c1-6(2,3)9-5-7-4-8-10-5/h4H,1-3H3,(H,7,8,9)
InChIKeyPSVRMJKZEAGRMC-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.75
Rot. Bonds1

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

N-tert-butyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268614) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is N-tert-butyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-1,2,4-thiadiazol-5-amine
PubChem CID65268614
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC NameN-tert-butyl-1,2,4-thiadiazol-5-amine
SMILESCC(C)(C)Nc1ncns1
InChIInChI=1S/C6H11N3S/c1-6(2,3)9-5-7-4-8-10-5/h4H,1-3H3,(H,7,8,9)
InChIKeyPSVRMJKZEAGRMC-UHFFFAOYSA-N
XLogP1.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-1,2,4-thiadiazol-5-amine (CID 65268614) is N-tert-butyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-1,2,4-thiadiazol-5-amine is CC(C)(C)Nc1ncns1.
What is the InChIKey of N-tert-butyl-1,2,4-thiadiazol-5-amine?
The InChIKey is PSVRMJKZEAGRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-6(2,3)9-5-7-4-8-10-5/h4H,1-3H3,(H,7,8,9).
What are the key properties of N-tert-butyl-1,2,4-thiadiazol-5-amine?
N-tert-butyl-1,2,4-thiadiazol-5-amine has a molecular weight of 157.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).